nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 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= 104 17) Finished k-point number 18 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 4) Finished k-point number 5 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= 105 36) Finished k-point number 37 1 with #bands= 106 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= 105 24) Finished k-point number 25 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.831206265154878 0.830003386061869 0.831609364213833 0.829904916350104 0.831766007742384 0.829826033216642 0.831448823701785 0.829878323592710 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.084501 tlogG= -0.604084 logG= -0.688585 Density= 3.499986 ETOT(band)= -1.786022 trlgG= -2.482789 logG= -0.688585 TDE= -4.602650 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084505 tlogG= -0.602112 logG= -0.686617 Density= 3.499764 ETOT(band)= -1.784955 trlgG= -2.480139 logG= -0.686617 TDE= -4.601789 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.084141 tlogG= -0.609318 logG= -0.693459 Density= 3.498399 ETOT(band)= -1.790942 trlgG= -2.492812 logG= -0.693459 TDE= -4.606526 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.084549 tlogG= -0.608081 logG= -0.692629 Density= 3.499848 ETOT(band)= -1.788934 trlgG= -2.491744 logG= -0.692629 TDE= -4.607450 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.084493 tlogG= -0.606431 logG= -0.690924 Density= 3.499599 ETOT(band)= -1.788025 trlgG= -2.488653 logG= -0.690924 TDE= -4.605865 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084674 tlogG= -0.599826 logG= -0.684500 Density= 3.500347 ETOT(band)= -1.782939 trlgG= -2.476058 logG= -0.684500 TDE= -4.600294 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084901 tlogG= -0.600987 logG= -0.685887 Density= 3.501370 ETOT(band)= -1.782874 trlgG= -2.478870 logG= -0.685887 TDE= -4.602540 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084384 tlogG= -0.604421 logG= -0.688805 Density= 3.499727 ETOT(band)= -1.786420 trlgG= -2.482498 logG= -0.688805 TDE= -4.601931 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084213 tlogG= -0.607350 logG= -0.691563 Density= 3.498809 ETOT(band)= -1.789216 trlgG= -2.488766 logG= -0.691563 TDE= -4.604704 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=143 logGD-logG0= -0.086229 tlogG= -0.590817 logG= -0.677046 Density= 3.505906 ETOT(band)= -1.772453 trlgG= -2.462835 logG= -0.677046 TDE= -4.598986 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.084937 tlogG= -0.598945 logG= -0.683882 Density= 3.501280 ETOT(band)= -1.781590 trlgG= -2.475786 logG= -0.683882 TDE= -4.601388 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085234 tlogG= -0.595566 logG= -0.680800 Density= 3.502110 ETOT(band)= -1.778661 trlgG= -2.470182 logG= -0.680800 TDE= -4.599533 logGD-logG0= -0.084968 tlogG= -0.598226 logG= -0.683194 Density= 3.501422 ETOT(band)= -1.780989 trlgG= -2.473947 logG= -0.683194 TDE= -4.600351 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.084628 tlogG= -0.603705 logG= -0.688332 Density= 3.500344 ETOT(band)= -1.785497 trlgG= -2.482716 logG= -0.688332 TDE= -4.603117 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084475 tlogG= -0.603966 logG= -0.688441 Density= 3.499562 ETOT(band)= -1.786383 trlgG= -2.483746 logG= -0.688441 TDE= -4.603411 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084320 tlogG= -0.602694 logG= -0.687014 Density= 3.499294 ETOT(band)= -1.785708 trlgG= -2.479060 logG= -0.687014 TDE= -4.599936 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084330 tlogG= -0.605220 logG= -0.689550 Density= 3.499226 ETOT(band)= -1.787474 trlgG= -2.484764 logG= -0.689550 TDE= -4.603050 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=144 logGD-logG0= -0.084521 tlogG= -0.602104 logG= -0.686625 Density= 3.499856 ETOT(band)= -1.784879 trlgG= -2.479575 logG= -0.686625 TDE= -4.601292 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084621 tlogG= -0.601895 logG= -0.686516 Density= 3.500437 ETOT(band)= -1.784208 trlgG= -2.478960 logG= -0.686516 TDE= -4.601252 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.084727 tlogG= -0.601737 logG= -0.686464 Density= 3.500891 ETOT(band)= -1.783694 trlgG= -2.478700 logG= -0.686464 TDE= -4.601408 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.084375 tlogG= -0.606856 logG= -0.691232 Density= 3.499280 ETOT(band)= -1.788515 trlgG= -2.488687 logG= -0.691232 TDE= -4.605335 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084853 tlogG= -0.599458 logG= -0.684311 Density= 3.501357 ETOT(band)= -1.781788 trlgG= -2.474887 logG= -0.684311 TDE= -4.600122 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.084638 tlogG= -0.602001 logG= -0.686638 Density= 3.500690 ETOT(band)= -1.783998 trlgG= -2.478392 logG= -0.686638 TDE= -4.600765 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.084747 tlogG= -0.601448 logG= -0.686195 Density= 3.500826 ETOT(band)= -1.783595 trlgG= -2.479101 logG= -0.686195 TDE= -4.602027 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.085653 tlogG= -0.594288 logG= -0.679941 Density= 3.503807 ETOT(band)= -1.776446 trlgG= -2.468658 logG= -0.679941 TDE= -4.600228 12) Finished k-point 13 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.084351 tlogG= -0.604385 logG= -0.688736 Density= 3.499131 ETOT(band)= -1.787017 trlgG= -2.483938 logG= -0.688736 TDE= -4.602961 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.084648 tlogG= -0.601642 logG= -0.686290 Density= 3.500278 ETOT(band)= -1.784217 trlgG= -2.479736 logG= -0.686290 TDE= -4.602127 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.085440 tlogG= -0.594954 logG= -0.680395 Density= 3.502913 ETOT(band)= -1.777616 trlgG= -2.469645 logG= -0.680395 TDE= -4.600045 16) Finished k-point 17 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.084798 tlogG= -0.599401 logG= -0.684199 Density= 3.500760 ETOT(band)= -1.782319 trlgG= -2.476219 logG= -0.684199 TDE= -4.601087 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085333 tlogG= -0.597097 logG= -0.682430 Density= 3.502828 ETOT(band)= -1.779118 trlgG= -2.472858 logG= -0.682430 TDE= -4.601154 13) Finished k-point 14 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085325 tlogG= -0.595385 logG= -0.680710 Density= 3.502590 ETOT(band)= -1.778132 trlgG= -2.469636 logG= -0.680710 TDE= -4.599461 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.085537 tlogG= -0.594784 logG= -0.680321 Density= 3.503407 ETOT(band)= -1.777099 trlgG= -2.469120 logG= -0.680321 TDE= -4.599990 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.084478 tlogG= -0.604729 logG= -0.689207 Density= 3.499690 ETOT(band)= -1.786773 trlgG= -2.484697 logG= -0.689207 TDE= -4.603698 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.085148 tlogG= -0.597685 logG= -0.682833 Density= 3.502074 ETOT(band)= -1.780116 trlgG= -2.473650 logG= -0.682833 TDE= -4.600939 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.084329 tlogG= -0.608713 logG= -0.693042 Density= 3.499013 ETOT(band)= -1.790023 trlgG= -2.492471 logG= -0.693042 TDE= -4.607094 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.085755 tlogG= -0.594125 logG= -0.679880 Density= 3.504308 ETOT(band)= -1.775945 trlgG= -2.468163 logG= -0.679880 TDE= -4.600197 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084982 tlogG= -0.599061 logG= -0.684043 Density= 3.501742 ETOT(band)= -1.781235 trlgG= -2.475099 logG= -0.684043 TDE= -4.600911 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.085689 tlogG= -0.592393 logG= -0.678082 Density= 3.503608 ETOT(band)= -1.775333 trlgG= -2.465298 logG= -0.678082 TDE= -4.598568 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.084150 tlogG= -0.607491 logG= -0.691641 Density= 3.498435 ETOT(band)= -1.789675 trlgG= -2.489165 logG= -0.691641 TDE= -4.604725 46) Finished k-point 47 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084805 tlogG= -0.601159 logG= -0.685964 Density= 3.500855 ETOT(band)= -1.783437 trlgG= -2.479451 logG= -0.685964 TDE= -4.602631 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.085955 tlogG= -0.591621 logG= -0.677576 Density= 3.504706 ETOT(band)= -1.773947 trlgG= -2.464194 logG= -0.677576 TDE= -4.598851 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.084643 tlogG= -0.604211 logG= -0.688854 Density= 3.500300 ETOT(band)= -1.785940 trlgG= -2.484280 logG= -0.688854 TDE= -4.604124 logGD-logG0= -0.084551 tlogG= -0.602224 logG= -0.686774 Density= 3.500604 ETOT(band)= -1.784177 trlgG= -2.477556 logG= -0.686774 TDE= -4.599723 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085121 tlogG= -0.598637 logG= -0.683758 Density= 3.502230 ETOT(band)= -1.780587 trlgG= -2.474755 logG= -0.683758 TDE= -4.601244 logGD-logG0= -0.084314 tlogG= -0.606980 logG= -0.691294 Density= 3.498937 ETOT(band)= -1.788926 trlgG= -2.489180 logG= -0.691294 TDE= -4.605491 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084550 tlogG= -0.606326 logG= -0.690876 Density= 3.499913 ETOT(band)= -1.787663 trlgG= -2.488201 logG= -0.690876 TDE= -4.605714 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084225 tlogG= -0.604757 logG= -0.688982 Density= 3.498806 ETOT(band)= -1.787518 trlgG= -2.483462 logG= -0.688982 TDE= -4.601979 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084407 tlogG= -0.602426 logG= -0.686833 Density= 3.499469 ETOT(band)= -1.785395 trlgG= -2.479936 logG= -0.686833 TDE= -4.601134 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=145 Sum of eigenvalues= -1164.76167504210 eV TrLogG= -1619.42727252759 eV Ratio to renormalize= 0.999757590072 rho-rho_expected= 0.040734742458 nargs= 1 argi=dmft2.def 38) Finished k-point number 39 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 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 6) Finished k-point number 7 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.831566630255158 0.830274193237990 0.831973708263114 0.830175978542000 0.832129501938781 0.830099022234307 0.831811739142603 0.830150998715716 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.084344 tlogG= -0.605464 logG= -0.689808 Density= 3.499277 ETOT(band)= -1.787555 trlgG= -2.485404 logG= -0.689808 TDE= -4.603474 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=143 logGD-logG0= -0.085036 tlogG= -0.599082 logG= -0.684119 Density= 3.501862 ETOT(band)= -1.781183 trlgG= -2.475484 logG= -0.684119 TDE= -4.601316 logGD-logG0= -0.084653 tlogG= -0.600213 logG= -0.684866 Density= 3.500331 ETOT(band)= -1.783209 trlgG= -2.476218 logG= -0.684866 TDE= -4.600075 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.084684 tlogG= -0.606179 logG= -0.690863 Density= 3.500341 ETOT(band)= -1.787247 trlgG= -2.488282 logG= -0.690863 TDE= -4.606150 logGD-logG0= -0.084516 tlogG= -0.602534 logG= -0.687050 Density= 3.500205 ETOT(band)= -1.784750 trlgG= -2.479127 logG= -0.687050 TDE= -4.600700 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084807 tlogG= -0.597932 logG= -0.682739 Density= 3.500823 ETOT(band)= -1.781265 trlgG= -2.472691 logG= -0.682739 TDE= -4.599070 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.085580 tlogG= -0.593037 logG= -0.678617 Density= 3.503410 ETOT(band)= -1.775911 trlgG= -2.466205 logG= -0.678617 TDE= -4.598782 16) Finished k-point 17 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.085104 tlogG= -0.596322 logG= -0.681426 Density= 3.501909 ETOT(band)= -1.779300 trlgG= -2.470569 logG= -0.681426 TDE= -4.599132 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.085677 tlogG= -0.592864 logG= -0.678541 Density= 3.503909 ETOT(band)= -1.775389 trlgG= -2.465671 logG= -0.678541 TDE= -4.598724 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.084627 tlogG= -0.604534 logG= -0.689161 Density= 3.500082 ETOT(band)= -1.786348 trlgG= -2.485205 logG= -0.689161 TDE= -4.604567 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084451 tlogG= -0.600811 logG= -0.685262 Density= 3.499765 ETOT(band)= -1.784046 trlgG= -2.475665 logG= -0.685262 TDE= -4.598672 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.085371 tlogG= -0.593655 logG= -0.679026 Density= 3.502599 ETOT(band)= -1.776965 trlgG= -2.466810 logG= -0.679026 TDE= -4.598327 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.085258 tlogG= -0.596729 logG= -0.681987 Density= 3.502725 ETOT(band)= -1.778891 trlgG= -2.471348 logG= -0.681987 TDE= -4.600004 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.084634 tlogG= -0.602193 logG= -0.686826 Density= 3.500463 ETOT(band)= -1.784352 trlgG= -2.479395 logG= -0.686826 TDE= -4.601397 logGD-logG0= -0.084881 tlogG= -0.599550 logG= -0.684430 Density= 3.501311 ETOT(band)= -1.781913 trlgG= -2.475729 logG= -0.684430 TDE= -4.600808 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=144 logGD-logG0= -0.084271 tlogG= -0.607431 logG= -0.691703 Density= 3.498866 ETOT(band)= -1.789284 trlgG= -2.489453 logG= -0.691703 TDE= -4.605297 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.085898 tlogG= -0.592197 logG= -0.678095 Density= 3.504820 ETOT(band)= -1.774223 trlgG= -2.464694 logG= -0.678095 TDE= -4.598924 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084754 tlogG= -0.600001 logG= -0.684755 Density= 3.500920 ETOT(band)= -1.782530 trlgG= -2.475597 logG= -0.684755 TDE= -4.600036 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.084461 tlogG= -0.603333 logG= -0.687794 Density= 3.499698 ETOT(band)= -1.785809 trlgG= -2.481394 logG= -0.687794 TDE= -4.601815 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.084940 tlogG= -0.599257 logG= -0.684197 Density= 3.501343 ETOT(band)= -1.781750 trlgG= -2.476074 logG= -0.684197 TDE= -4.601412 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084684 tlogG= -0.604427 logG= -0.689112 Density= 3.500398 ETOT(band)= -1.785983 trlgG= -2.484749 logG= -0.689112 TDE= -4.604414 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084507 tlogG= -0.604965 logG= -0.689472 Density= 3.499754 ETOT(band)= -1.786848 trlgG= -2.485254 logG= -0.689472 TDE= -4.604042 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=143 logGD-logG0= -0.085473 tlogG= -0.595181 logG= -0.680653 Density= 3.503331 ETOT(band)= -1.777410 trlgG= -2.469427 logG= -0.680653 TDE= -4.599904 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.084608 tlogG= -0.602073 logG= -0.686681 Density= 3.500039 ETOT(band)= -1.784711 trlgG= -2.480346 logG= -0.686681 TDE= -4.602154 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.085285 tlogG= -0.595776 logG= -0.681061 Density= 3.502567 ETOT(band)= -1.778419 trlgG= -2.470223 logG= -0.681061 TDE= -4.599680 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.086100 tlogG= -0.589687 logG= -0.675787 Density= 3.505221 ETOT(band)= -1.772218 trlgG= -2.460721 logG= -0.675787 TDE= -4.597580 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.084355 tlogG= -0.602874 logG= -0.687229 Density= 3.499271 ETOT(band)= -1.785861 trlgG= -2.480081 logG= -0.687229 TDE= -4.600725 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084932 tlogG= -0.597503 logG= -0.682435 Density= 3.501241 ETOT(band)= -1.780639 trlgG= -2.472820 logG= -0.682435 TDE= -4.599838 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084861 tlogG= -0.599841 logG= -0.684702 Density= 3.501375 ETOT(band)= -1.782014 trlgG= -2.475330 logG= -0.684702 TDE= -4.600188 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.084782 tlogG= -0.599746 logG= -0.684528 Density= 3.500757 ETOT(band)= -1.782540 trlgG= -2.476375 logG= -0.684528 TDE= -4.600912 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084280 tlogG= -0.605607 logG= -0.689887 Density= 3.498899 ETOT(band)= -1.788020 trlgG= -2.485801 logG= -0.689887 TDE= -4.603488 46) Finished k-point 47 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=143 logGD-logG0= -0.085073 tlogG= -0.597041 logG= -0.682114 Density= 3.501768 ETOT(band)= -1.779901 trlgG= -2.472394 logG= -0.682114 TDE= -4.600156 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084637 tlogG= -0.600221 logG= -0.684858 Density= 3.500242 ETOT(band)= -1.783282 trlgG= -2.476785 logG= -0.684858 TDE= -4.600577 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084482 tlogG= -0.602498 logG= -0.686980 Density= 3.499600 ETOT(band)= -1.785354 trlgG= -2.480543 logG= -0.686980 TDE= -4.601699 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.086377 tlogG= -0.588873 logG= -0.675250 Density= 3.506436 ETOT(band)= -1.770708 trlgG= -2.459332 logG= -0.675250 TDE= -4.597703 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.084778 tlogG= -0.602312 logG= -0.687089 Density= 3.500788 ETOT(band)= -1.784256 trlgG= -2.480887 logG= -0.687089 TDE= -4.602887 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084445 tlogG= -0.605090 logG= -0.689535 Density= 3.499407 ETOT(band)= -1.787263 trlgG= -2.485750 logG= -0.689535 TDE= -4.604196 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084611 tlogG= -0.602836 logG= -0.687447 Density= 3.500166 ETOT(band)= -1.785101 trlgG= -2.481320 logG= -0.687447 TDE= -4.602464 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084539 tlogG= -0.600539 logG= -0.685078 Density= 3.499942 ETOT(band)= -1.783729 trlgG= -2.476589 logG= -0.685078 TDE= -4.599922 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=145 logGD-logG0= -0.084771 tlogG= -0.600108 logG= -0.684879 Density= 3.501175 ETOT(band)= -1.782320 trlgG= -2.475019 logG= -0.684879 TDE= -4.599540 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085117 tlogG= -0.597158 logG= -0.682275 Density= 3.502234 ETOT(band)= -1.779546 trlgG= -2.471682 logG= -0.682275 TDE= -4.599658 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=143 logGD-logG0= -0.085795 tlogG= -0.592363 logG= -0.678158 Density= 3.504316 ETOT(band)= -1.774727 trlgG= -2.465196 logG= -0.678158 TDE= -4.598958 12) Finished k-point 13 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.084462 tlogG= -0.606819 logG= -0.691281 Density= 3.499489 ETOT(band)= -1.788353 trlgG= -2.489032 logG= -0.691281 TDE= -4.605798 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.084684 tlogG= -0.600334 logG= -0.685018 Density= 3.501093 ETOT(band)= -1.782498 trlgG= -2.474174 logG= -0.685018 TDE= -4.598491 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.085830 tlogG= -0.590468 logG= -0.676299 Density= 3.504112 ETOT(band)= -1.773616 trlgG= -2.461902 logG= -0.676299 TDE= -4.597360 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.084988 tlogG= -0.597560 logG= -0.682547 Density= 3.501847 ETOT(band)= -1.780101 trlgG= -2.471510 logG= -0.682547 TDE= -4.598901 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.085463 tlogG= -0.593472 logG= -0.678936 Density= 3.503085 ETOT(band)= -1.776430 trlgG= -2.466261 logG= -0.678936 TDE= -4.598259 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.084761 tlogG= -0.601809 logG= -0.686570 Density= 3.500826 ETOT(band)= -1.783820 trlgG= -2.479319 logG= -0.686570 TDE= -4.601869 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 Sum of eigenvalues= -1163.66199361424 eV TrLogG= -1617.46135943885 eV Ratio to renormalize= 0.999618944794 rho-rho_expected= 0.064041677954 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.832472025788012 0.830946164451769 0.832880633710711 0.830853541750237 0.833039485981529 0.830772740785651 0.832716159405557 0.830822097584552 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.084845 tlogG= -0.597837 logG= -0.682682 Density= 3.501409 ETOT(band)= -1.780598 trlgG= -2.470746 logG= -0.682682 TDE= -4.597652 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084671 tlogG= -0.600770 logG= -0.685441 Density= 3.500456 ETOT(band)= -1.783423 trlgG= -2.477046 logG= -0.685441 TDE= -4.600428 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=144 logGD-logG0= -0.085140 tlogG= -0.593219 logG= -0.678359 Density= 3.502023 ETOT(band)= -1.777099 trlgG= -2.464327 logG= -0.678359 TDE= -4.596048 logGD-logG0= -0.084962 tlogG= -0.599811 logG= -0.684773 Density= 3.501299 ETOT(band)= -1.782170 trlgG= -2.476622 logG= -0.684773 TDE= -4.601349 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085822 tlogG= -0.590409 logG= -0.676231 Density= 3.504600 ETOT(band)= -1.773155 trlgG= -2.460907 logG= -0.676231 TDE= -4.596824 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085024 tlogG= -0.601444 logG= -0.686468 Density= 3.501584 ETOT(band)= -1.783044 trlgG= -2.479662 logG= -0.686468 TDE= -4.602923 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.085629 tlogG= -0.591022 logG= -0.676651 Density= 3.503810 ETOT(band)= -1.774194 trlgG= -2.461696 logG= -0.676651 TDE= -4.596559 logGD-logG0= -0.085217 tlogG= -0.594824 logG= -0.680041 Density= 3.502532 ETOT(band)= -1.777726 trlgG= -2.467339 logG= -0.680041 TDE= -4.597787 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084838 tlogG= -0.600256 logG= -0.685095 Density= 3.500946 ETOT(band)= -1.782698 trlgG= -2.476725 logG= -0.685095 TDE= -4.600847 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=143 logGD-logG0= -0.085095 tlogG= -0.597090 logG= -0.682185 Density= 3.502039 ETOT(band)= -1.779645 trlgG= -2.470879 logG= -0.682185 TDE= -4.598788 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.084602 tlogG= -0.600918 logG= -0.685520 Density= 3.500069 ETOT(band)= -1.783899 trlgG= -2.477442 logG= -0.685520 TDE= -4.600435 46) Finished k-point 47 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.085278 tlogG= -0.594522 logG= -0.679800 Density= 3.502573 ETOT(band)= -1.777550 trlgG= -2.467667 logG= -0.679800 TDE= -4.598388 logGD-logG0= -0.084939 tlogG= -0.597363 logG= -0.682302 Density= 3.501241 ETOT(band)= -1.780550 trlgG= -2.471917 logG= -0.682302 TDE= -4.599068 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084968 tlogG= -0.595515 logG= -0.680483 Density= 3.501445 ETOT(band)= -1.779120 trlgG= -2.468443 logG= -0.680483 TDE= -4.597577 logGD-logG0= -0.084965 tlogG= -0.597486 logG= -0.682451 Density= 3.501666 ETOT(band)= -1.780193 trlgG= -2.470974 logG= -0.682451 TDE= -4.598317 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084598 tlogG= -0.602735 logG= -0.687334 Density= 3.500040 ETOT(band)= -1.785156 trlgG= -2.481096 logG= -0.687334 TDE= -4.602252 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.085268 tlogG= -0.592778 logG= -0.678045 Density= 3.502450 ETOT(band)= -1.776459 trlgG= -2.464367 logG= -0.678045 TDE= -4.596745 logGD-logG0= -0.085443 tlogG= -0.591584 logG= -0.677027 Density= 3.503137 ETOT(band)= -1.775095 trlgG= -2.462181 logG= -0.677027 TDE= -4.596128 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084983 tlogG= -0.595507 logG= -0.680490 Density= 3.501525 ETOT(band)= -1.779052 trlgG= -2.467874 logG= -0.680490 TDE= -4.597065 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.084778 tlogG= -0.596124 logG= -0.680902 Density= 3.500952 ETOT(band)= -1.779908 trlgG= -2.467270 logG= -0.680902 TDE= -4.595590 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.085715 tlogG= -0.588899 logG= -0.674614 Density= 3.503831 ETOT(band)= -1.772744 trlgG= -2.458435 logG= -0.674614 TDE= -4.595353 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.085412 tlogG= -0.592301 logG= -0.677714 Density= 3.502997 ETOT(band)= -1.775697 trlgG= -2.463970 logG= -0.677714 TDE= -4.597119 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084775 tlogG= -0.600386 logG= -0.685161 Density= 3.500592 ETOT(band)= -1.783121 trlgG= -2.477220 logG= -0.685161 TDE= -4.600992 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=143 logGD-logG0= -0.085115 tlogG= -0.597582 logG= -0.682697 Density= 3.502016 ETOT(band)= -1.780063 trlgG= -2.472458 logG= -0.682697 TDE= -4.599836 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084794 tlogG= -0.602105 logG= -0.686899 Density= 3.500687 ETOT(band)= -1.784196 trlgG= -2.480477 logG= -0.686899 TDE= -4.602586 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.084681 tlogG= -0.598189 logG= -0.682870 Density= 3.500444 ETOT(band)= -1.781737 trlgG= -2.471701 logG= -0.682870 TDE= -4.597645 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084942 tlogG= -0.598123 logG= -0.683066 Density= 3.501367 ETOT(band)= -1.780939 trlgG= -2.472937 logG= -0.683066 TDE= -4.599425 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084789 tlogG= -0.598634 logG= -0.683423 Density= 3.500885 ETOT(band)= -1.781666 trlgG= -2.473018 logG= -0.683423 TDE= -4.598763 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.085929 tlogG= -0.588263 logG= -0.674192 Density= 3.504662 ETOT(band)= -1.771665 trlgG= -2.457644 logG= -0.674192 TDE= -4.595650 16) Finished k-point 17 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.086748 tlogG= -0.584034 logG= -0.670781 Density= 3.507770 ETOT(band)= -1.766360 trlgG= -2.450609 logG= -0.670781 TDE= -4.594519 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.085020 tlogG= -0.599701 logG= -0.684722 Density= 3.501619 ETOT(band)= -1.781800 trlgG= -2.476162 logG= -0.684722 TDE= -4.601197 logGD-logG0= -0.084807 tlogG= -0.597801 logG= -0.682608 Density= 3.500784 ETOT(band)= -1.781217 trlgG= -2.472125 logG= -0.682608 TDE= -4.598602 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.086030 tlogG= -0.588084 logG= -0.674113 Density= 3.505174 ETOT(band)= -1.771130 trlgG= -2.457088 logG= -0.674113 TDE= -4.595584 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.086462 tlogG= -0.584872 logG= -0.671334 Density= 3.506519 ETOT(band)= -1.767910 trlgG= -2.452081 logG= -0.671334 TDE= -4.594435 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.086257 tlogG= -0.587397 logG= -0.673654 Density= 3.506111 ETOT(band)= -1.769934 trlgG= -2.456059 logG= -0.673654 TDE= -4.595766 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.085115 tlogG= -0.595027 logG= -0.680142 Density= 3.501963 ETOT(band)= -1.778368 trlgG= -2.468011 logG= -0.680142 TDE= -4.597902 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.085087 tlogG= -0.595288 logG= -0.680375 Density= 3.502134 ETOT(band)= -1.778355 trlgG= -2.467234 logG= -0.680375 TDE= -4.597028 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=144 logGD-logG0= -0.084867 tlogG= -0.595843 logG= -0.680711 Density= 3.501132 ETOT(band)= -1.779584 trlgG= -2.468274 logG= -0.680711 TDE= -4.596929 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=144 logGD-logG0= -0.085457 tlogG= -0.592421 logG= -0.677878 Density= 3.503470 ETOT(band)= -1.775340 trlgG= -2.463195 logG= -0.677878 TDE= -4.596558 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085195 tlogG= -0.595123 logG= -0.680318 Density= 3.502596 ETOT(band)= -1.777833 trlgG= -2.466949 logG= -0.680318 TDE= -4.597171 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.085376 tlogG= -0.594342 logG= -0.679719 Density= 3.503100 ETOT(band)= -1.776973 trlgG= -2.467055 logG= -0.679719 TDE= -4.598282 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.086185 tlogG= -0.585675 logG= -0.671860 Density= 3.505383 ETOT(band)= -1.769340 trlgG= -2.453451 logG= -0.671860 TDE= -4.594368 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.085810 tlogG= -0.588710 logG= -0.674520 Density= 3.504334 ETOT(band)= -1.772193 trlgG= -2.457872 logG= -0.674520 TDE= -4.595287 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.085602 tlogG= -0.591980 logG= -0.677581 Density= 3.503971 ETOT(band)= -1.774669 trlgG= -2.462884 logG= -0.677581 TDE= -4.596947 logGD-logG0= -0.085326 tlogG= -0.592834 logG= -0.678160 Density= 3.503081 ETOT(band)= -1.775904 trlgG= -2.463125 logG= -0.678160 TDE= -4.595895 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.085105 tlogG= -0.595398 logG= -0.680503 Density= 3.502397 ETOT(band)= -1.778144 trlgG= -2.466640 logG= -0.680503 TDE= -4.596518 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.086150 tlogG= -0.587569 logG= -0.673719 Density= 3.505596 ETOT(band)= -1.770448 trlgG= -2.456578 logG= -0.673719 TDE= -4.595807 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.085018 tlogG= -0.595630 logG= -0.680648 Density= 3.502326 ETOT(band)= -1.778318 trlgG= -2.465785 logG= -0.680648 TDE= -4.595460 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 Sum of eigenvalues= -1160.92450731565 eV TrLogG= -1612.58336872693 eV Ratio to renormalize= 0.999269955229 rho-rho_expected= 0.122737125055 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 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 44) Finished k-point number 45 1 with #bands= 105 31) Finished k-point number 32 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 0) Finished k-point number 1 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833704409025427 0.831335945834693 0.834109966998081 0.831247987206606 0.834280606305520 0.831173888682768 0.833943167577440 0.831228267616579 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.085790 tlogG= -0.579685 logG= -0.665476 Density= 3.504714 ETOT(band)= -1.761673 trlgG= -2.438296 logG= -0.665476 TDE= -4.585060 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.085178 tlogG= -0.590172 logG= -0.675350 Density= 3.502464 ETOT(band)= -1.770626 trlgG= -2.456390 logG= -0.675350 TDE= -4.591475 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.085569 tlogG= -0.580996 logG= -0.666566 Density= 3.503888 ETOT(band)= -1.763214 trlgG= -2.440724 logG= -0.666566 TDE= -4.585735 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084800 tlogG= -0.589572 logG= -0.674372 Density= 3.501220 ETOT(band)= -1.771131 trlgG= -2.454103 logG= -0.674372 TDE= -4.589167 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.085109 tlogG= -0.588560 logG= -0.673669 Density= 3.502141 ETOT(band)= -1.769786 trlgG= -2.453400 logG= -0.673669 TDE= -4.589906 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084811 tlogG= -0.586999 logG= -0.671810 Density= 3.501208 ETOT(band)= -1.769442 trlgG= -2.448758 logG= -0.671810 TDE= -4.586375 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085082 tlogG= -0.586127 logG= -0.671209 Density= 3.502066 ETOT(band)= -1.768179 trlgG= -2.448787 logG= -0.671209 TDE= -4.587693 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.084978 tlogG= -0.586619 logG= -0.671598 Density= 3.502231 ETOT(band)= -1.768239 trlgG= -2.447743 logG= -0.671598 TDE= -4.586392 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085285 tlogG= -0.581963 logG= -0.667248 Density= 3.502850 ETOT(band)= -1.764696 trlgG= -2.441160 logG= -0.667248 TDE= -4.584656 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.085102 tlogG= -0.586252 logG= -0.671354 Density= 3.502485 ETOT(band)= -1.767825 trlgG= -2.447875 logG= -0.671354 TDE= -4.586972 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.086102 tlogG= -0.576881 logG= -0.662983 Density= 3.505591 ETOT(band)= -1.759088 trlgG= -2.434150 logG= -0.662983 TDE= -4.584111 logGD-logG0= -0.084728 tlogG= -0.591542 logG= -0.676270 Density= 3.500790 ETOT(band)= -1.772882 trlgG= -2.458163 logG= -0.676270 TDE= -4.590984 logGD-logG0= -0.085612 tlogG= -0.581115 logG= -0.666727 Density= 3.504367 ETOT(band)= -1.762850 trlgG= -2.439876 logG= -0.666727 TDE= -4.585110 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.085006 tlogG= -0.584628 logG= -0.669634 Density= 3.501943 ETOT(band)= -1.767230 trlgG= -2.445246 logG= -0.669634 TDE= -4.585628 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.085167 tlogG= -0.588442 logG= -0.673609 Density= 3.502462 ETOT(band)= -1.769409 trlgG= -2.452925 logG= -0.673609 TDE= -4.589749 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084921 tlogG= -0.587422 logG= -0.672343 Density= 3.501666 ETOT(band)= -1.769342 trlgG= -2.450012 logG= -0.672343 TDE= -4.587463 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.085431 tlogG= -0.583233 logG= -0.668665 Density= 3.503449 ETOT(band)= -1.765095 trlgG= -2.444431 logG= -0.668665 TDE= -4.586991 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085879 tlogG= -0.577552 logG= -0.663430 Density= 3.504718 ETOT(band)= -1.760220 trlgG= -2.435133 logG= -0.663430 TDE= -4.583946 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.084914 tlogG= -0.584921 logG= -0.669835 Density= 3.501752 ETOT(band)= -1.767571 trlgG= -2.444296 logG= -0.669835 TDE= -4.584323 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.085264 tlogG= -0.586311 logG= -0.671575 Density= 3.502875 ETOT(band)= -1.767643 trlgG= -2.449245 logG= -0.671575 TDE= -4.588434 logGD-logG0= -0.085110 tlogG= -0.584281 logG= -0.669391 Density= 3.502283 ETOT(band)= -1.766733 trlgG= -2.445342 logG= -0.669391 TDE= -4.586240 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084975 tlogG= -0.589031 logG= -0.674005 Density= 3.501737 ETOT(band)= -1.770367 trlgG= -2.453596 logG= -0.674005 TDE= -4.589442 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085228 tlogG= -0.584035 logG= -0.669263 Density= 3.502977 ETOT(band)= -1.765947 trlgG= -2.444097 logG= -0.669263 TDE= -4.585680 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.085476 tlogG= -0.581546 logG= -0.667023 Density= 3.503976 ETOT(band)= -1.763428 trlgG= -2.439894 logG= -0.667023 TDE= -4.584519 logGD-logG0= -0.086207 tlogG= -0.576687 logG= -0.662894 Density= 3.506130 ETOT(band)= -1.758524 trlgG= -2.433549 logG= -0.662894 TDE= -4.584031 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084942 tlogG= -0.586591 logG= -0.671534 Density= 3.501569 ETOT(band)= -1.768893 trlgG= -2.449070 logG= -0.671534 TDE= -4.587253 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084911 tlogG= -0.589170 logG= -0.674081 Density= 3.501372 ETOT(band)= -1.770805 trlgG= -2.454101 logG= -0.674081 TDE= -4.589578 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084935 tlogG= -0.590876 logG= -0.675810 Density= 3.501486 ETOT(band)= -1.771865 trlgG= -2.457328 logG= -0.675810 TDE= -4.591167 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.085122 tlogG= -0.584271 logG= -0.669394 Density= 3.502331 ETOT(band)= -1.766684 trlgG= -2.444782 logG= -0.669394 TDE= -4.585716 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.085260 tlogG= -0.583767 logG= -0.669027 Density= 3.502795 ETOT(band)= -1.765966 trlgG= -2.444862 logG= -0.669027 TDE= -4.586534 logGD-logG0= -0.086336 tlogG= -0.576147 logG= -0.662482 Density= 3.506584 ETOT(band)= -1.757802 trlgG= -2.432984 logG= -0.662482 TDE= -4.584242 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085977 tlogG= -0.577347 logG= -0.663324 Density= 3.505253 ETOT(band)= -1.759636 trlgG= -2.434524 logG= -0.663324 TDE= -4.583872 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.086445 tlogG= -0.575962 logG= -0.662407 Density= 3.507117 ETOT(band)= -1.757265 trlgG= -2.432426 logG= -0.662407 TDE= -4.584187 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.085760 tlogG= -0.580651 logG= -0.666412 Density= 3.504883 ETOT(band)= -1.762150 trlgG= -2.439550 logG= -0.666412 TDE= -4.585514 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.085245 tlogG= -0.584148 logG= -0.669393 Density= 3.503261 ETOT(band)= -1.765724 trlgG= -2.443505 logG= -0.669393 TDE= -4.585185 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.085596 tlogG= -0.580278 logG= -0.665874 Density= 3.504009 ETOT(band)= -1.762617 trlgG= -2.438932 logG= -0.665874 TDE= -4.584732 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.085336 tlogG= -0.583862 logG= -0.669197 Density= 3.503449 ETOT(band)= -1.765411 trlgG= -2.443769 logG= -0.669197 TDE= -4.585796 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.085363 tlogG= -0.583549 logG= -0.668912 Density= 3.503387 ETOT(band)= -1.765294 trlgG= -2.444130 logG= -0.668912 TDE= -4.586393 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.086960 tlogG= -0.572514 logG= -0.659474 Density= 3.508853 ETOT(band)= -1.753570 trlgG= -2.426795 logG= -0.659474 TDE= -4.582883 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.085235 tlogG= -0.585836 logG= -0.671071 Density= 3.502872 ETOT(band)= -1.767251 trlgG= -2.447702 logG= -0.671071 TDE= -4.587393 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.085082 tlogG= -0.586885 logG= -0.671967 Density= 3.502176 ETOT(band)= -1.768577 trlgG= -2.449828 logG= -0.671967 TDE= -4.588064 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.086658 tlogG= -0.573402 logG= -0.660060 Density= 3.507529 ETOT(band)= -1.755206 trlgG= -2.428394 logG= -0.660060 TDE= -4.582832 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.085529 tlogG= -0.583041 logG= -0.668570 Density= 3.503986 ETOT(band)= -1.764499 trlgG= -2.443770 logG= -0.668570 TDE= -4.586855 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.086367 tlogG= -0.574250 logG= -0.660617 Density= 3.506335 ETOT(band)= -1.756706 trlgG= -2.429983 logG= -0.660617 TDE= -4.582907 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.085419 tlogG= -0.581499 logG= -0.666918 Density= 3.503301 ETOT(band)= -1.764024 trlgG= -2.441132 logG= -0.666918 TDE= -4.585320 logGD-logG0= -0.084730 tlogG= -0.589732 logG= -0.674462 Density= 3.500813 ETOT(band)= -1.771630 trlgG= -2.454521 logG= -0.674462 TDE= -4.589169 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.085159 tlogG= -0.584387 logG= -0.669546 Density= 3.503215 ETOT(band)= -1.765887 trlgG= -2.442740 logG= -0.669546 TDE= -4.584231 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085993 tlogG= -0.579038 logG= -0.665031 Density= 3.505553 ETOT(band)= -1.760575 trlgG= -2.437476 logG= -0.665031 TDE= -4.585357 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1152.79903445249 eV TrLogG= -1597.86846535479 eV Ratio to renormalize= 0.999024124103 rho-rho_expected= 0.164107299115 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 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= 105 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 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= 104 6) Finished k-point number 7 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 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 38) Finished k-point number 39 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833053149350312 0.829887829905075 0.833477788289020 0.829797912661265 0.833658224981047 0.829718407998153 0.833302355800078 0.829779102711397 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.084510 tlogG= -0.583319 logG= -0.667829 Density= 3.500467 ETOT(band)= -1.762372 trlgG= -2.439444 logG= -0.667829 TDE= -4.580446 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.084479 tlogG= -0.585177 logG= -0.669656 Density= 3.500236 ETOT(band)= -1.763838 trlgG= -2.443032 logG= -0.669656 TDE= -4.582022 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.084489 tlogG= -0.585298 logG= -0.669787 Density= 3.500620 ETOT(band)= -1.763502 trlgG= -2.442163 logG= -0.669787 TDE= -4.581330 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084566 tlogG= -0.589251 logG= -0.673817 Density= 3.500567 ETOT(band)= -1.766358 trlgG= -2.450964 logG= -0.673817 TDE= -4.586059 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.084502 tlogG= -0.587626 logG= -0.672129 Density= 3.500278 ETOT(band)= -1.765483 trlgG= -2.447922 logG= -0.672129 TDE= -4.584473 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085269 tlogG= -0.576585 logG= -0.661854 Density= 3.502876 ETOT(band)= -1.755863 trlgG= -2.429080 logG= -0.661854 TDE= -4.577992 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.084123 tlogG= -0.588788 logG= -0.672911 Density= 3.498955 ETOT(band)= -1.767317 trlgG= -2.448879 logG= -0.672911 TDE= -4.583587 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.084312 tlogG= -0.583948 logG= -0.668260 Density= 3.499917 ETOT(band)= -1.763215 trlgG= -2.438605 logG= -0.668260 TDE= -4.578735 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084681 tlogG= -0.580992 logG= -0.665673 Density= 3.501018 ETOT(band)= -1.760335 trlgG= -2.435202 logG= -0.665673 TDE= -4.578803 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.084118 tlogG= -0.590611 logG= -0.674729 Density= 3.498915 ETOT(band)= -1.768592 trlgG= -2.452536 logG= -0.674729 TDE= -4.585394 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.084324 tlogG= -0.589949 logG= -0.674273 Density= 3.499609 ETOT(band)= -1.767579 trlgG= -2.451860 logG= -0.674273 TDE= -4.585731 logGD-logG0= -0.084189 tlogG= -0.588629 logG= -0.672818 Density= 3.499349 ETOT(band)= -1.766828 trlgG= -2.448469 logG= -0.672818 TDE= -4.583585 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.084367 tlogG= -0.585659 logG= -0.670026 Density= 3.500364 ETOT(band)= -1.763914 trlgG= -2.442098 logG= -0.670026 TDE= -4.580821 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=143 logGD-logG0= -0.085179 tlogG= -0.578727 logG= -0.663905 Density= 3.502867 ETOT(band)= -1.757326 trlgG= -2.432475 logG= -0.663905 TDE= -4.579327 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084312 tlogG= -0.586472 logG= -0.670784 Density= 3.499801 ETOT(band)= -1.765027 trlgG= -2.444318 logG= -0.670784 TDE= -4.581831 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.084985 tlogG= -0.579314 logG= -0.664299 Density= 3.502155 ETOT(band)= -1.758273 trlgG= -2.432952 logG= -0.664299 TDE= -4.578839 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084516 tlogG= -0.583310 logG= -0.667826 Density= 3.500483 ETOT(band)= -1.762345 trlgG= -2.438900 logG= -0.667826 TDE= -4.579918 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084825 tlogG= -0.582282 logG= -0.667107 Density= 3.501607 ETOT(band)= -1.760757 trlgG= -2.438545 logG= -0.667107 TDE= -4.581185 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084208 tlogG= -0.586038 logG= -0.670246 Density= 3.499366 ETOT(band)= -1.765104 trlgG= -2.443113 logG= -0.670246 TDE= -4.580815 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085752 tlogG= -0.573288 logG= -0.659039 Density= 3.504468 ETOT(band)= -1.752363 trlgG= -2.423959 logG= -0.659039 TDE= -4.576963 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.084720 tlogG= -0.582904 logG= -0.667624 Density= 3.501581 ETOT(band)= -1.761082 trlgG= -2.437907 logG= -0.667624 TDE= -4.580009 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084750 tlogG= -0.582594 logG= -0.667344 Density= 3.501528 ETOT(band)= -1.760963 trlgG= -2.438244 logG= -0.667344 TDE= -4.580583 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085362 tlogG= -0.576382 logG= -0.661744 Density= 3.503402 ETOT(band)= -1.755283 trlgG= -2.428474 logG= -0.661744 TDE= -4.577917 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.084340 tlogG= -0.585635 logG= -0.669975 Density= 3.499736 ETOT(band)= -1.764550 trlgG= -2.443358 logG= -0.669975 TDE= -4.581629 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084406 tlogG= -0.583660 logG= -0.668065 Density= 3.500120 ETOT(band)= -1.762869 trlgG= -2.439377 logG= -0.668065 TDE= -4.579865 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=144 logGD-logG0= -0.084616 tlogG= -0.583074 logG= -0.667690 Density= 3.501114 ETOT(band)= -1.761616 trlgG= -2.438227 logG= -0.667690 TDE= -4.579888 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.086041 tlogG= -0.572444 logG= -0.658485 Density= 3.505670 ETOT(band)= -1.750857 trlgG= -2.422561 logG= -0.658485 TDE= -4.577083 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.084472 tlogG= -0.585940 logG= -0.670412 Density= 3.500313 ETOT(band)= -1.764263 trlgG= -2.444058 logG= -0.670412 TDE= -4.582354 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084363 tlogG= -0.588093 logG= -0.672456 Density= 3.499866 ETOT(band)= -1.766065 trlgG= -2.448071 logG= -0.672456 TDE= -4.583965 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.085493 tlogG= -0.575918 logG= -0.661411 Density= 3.503759 ETOT(band)= -1.754724 trlgG= -2.428322 logG= -0.661411 TDE= -4.578385 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.084654 tlogG= -0.582810 logG= -0.667464 Density= 3.500954 ETOT(band)= -1.761623 trlgG= -2.438972 logG= -0.667464 TDE= -4.580731 logGD-logG0= -0.084624 tlogG= -0.583183 logG= -0.667806 Density= 3.501405 ETOT(band)= -1.761386 trlgG= -2.437703 logG= -0.667806 TDE= -4.579481 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084653 tlogG= -0.585372 logG= -0.670026 Density= 3.501004 ETOT(band)= -1.763339 trlgG= -2.443474 logG= -0.670026 TDE= -4.582711 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084305 tlogG= -0.588231 logG= -0.672535 Density= 3.499518 ETOT(band)= -1.766493 trlgG= -2.448591 logG= -0.672535 TDE= -4.584126 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.085380 tlogG= -0.578085 logG= -0.663465 Density= 3.503702 ETOT(band)= -1.756232 trlgG= -2.431604 logG= -0.663465 TDE= -4.579567 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084915 tlogG= -0.582092 logG= -0.667007 Density= 3.502120 ETOT(band)= -1.760177 trlgG= -2.437889 logG= -0.667007 TDE= -4.581040 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085144 tlogG= -0.579694 logG= -0.664838 logGD-logG0= -0.084862 tlogG= -0.580577 logG= -0.665439 Density= 3.502123 ETOT(band)= -1.759078 trlgG= -2.433945 logG= -0.665439 TDE= -4.578666 Density= 3.503029 ETOT(band)= -1.757807 trlgG= -2.433668 logG= -0.664838 TDE= -4.579717 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.086341 tlogG= -0.571560 logG= -0.657901 Density= 3.506993 ETOT(band)= -1.749222 trlgG= -2.421003 logG= -0.657901 TDE= -4.577170 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.085828 tlogG= -0.575007 logG= -0.660835 Density= 3.505271 ETOT(band)= -1.752910 trlgG= -2.426615 logG= -0.660835 TDE= -4.578467 logGD-logG0= -0.084546 tlogG= -0.583415 logG= -0.667961 Density= 3.501353 ETOT(band)= -1.761545 trlgG= -2.437025 logG= -0.667961 TDE= -4.578607 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084997 tlogG= -0.580152 logG= -0.665148 Density= 3.502518 ETOT(band)= -1.758500 trlgG= -2.434020 logG= -0.665148 TDE= -4.579349 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.084612 tlogG= -0.584889 logG= -0.669501 Density= 3.501006 ETOT(band)= -1.762938 trlgG= -2.441961 logG= -0.669501 TDE= -4.581724 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.085724 tlogG= -0.575189 logG= -0.660914 Density= 3.504754 ETOT(band)= -1.753438 trlgG= -2.427168 logG= -0.660914 TDE= -4.578526 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.085591 tlogG= -0.575726 logG= -0.661317 Density= 3.504285 ETOT(band)= -1.754167 trlgG= -2.427727 logG= -0.661317 TDE= -4.578306 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.084815 tlogG= -0.580533 logG= -0.665348 Density= 3.501480 ETOT(band)= -1.759658 trlgG= -2.435275 logG= -0.665348 TDE= -4.579572 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084554 tlogG= -0.587511 logG= -0.672065 Density= 3.500579 ETOT(band)= -1.765120 trlgG= -2.447450 logG= -0.672065 TDE= -4.584306 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084965 tlogG= -0.580036 logG= -0.665001 Density= 3.502073 ETOT(band)= -1.758847 trlgG= -2.434833 logG= -0.665001 TDE= -4.579953 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1149.96861193188 eV TrLogG= -1593.12252588267 eV Ratio to renormalize= 0.999552742133 rho-rho_expected= 0.075172943378 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 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= 104 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 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= 0.833424317061755 0.829858472028564 0.833834668092507 0.829766190756566 0.834010966410984 0.829688035255913 0.833660931656556 0.829744626566223 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.084420 tlogG= -0.593293 logG= -0.677712 Density= 3.499950 ETOT(band)= -1.772173 trlgG= -2.458560 logG= -0.677712 TDE= -4.589265 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.084609 tlogG= -0.588459 logG= -0.673068 Density= 3.500907 ETOT(band)= -1.768091 trlgG= -2.448304 logG= -0.673068 TDE= -4.584420 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085290 tlogG= -0.584699 logG= -0.669989 Density= 3.503484 ETOT(band)= -1.763436 trlgG= -2.443810 logG= -0.669989 TDE= -4.585074 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084609 tlogG= -0.590987 logG= -0.675595 Density= 3.500792 ETOT(band)= -1.769900 trlgG= -2.454026 logG= -0.675595 TDE= -4.587524 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084704 tlogG= -0.588171 logG= -0.672875 Density= 3.501122 ETOT(band)= -1.767739 trlgG= -2.449107 logG= -0.672875 TDE= -4.585589 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.084778 tlogG= -0.589690 logG= -0.674469 Density= 3.501251 ETOT(band)= -1.768698 trlgG= -2.452680 logG= -0.674469 TDE= -4.587673 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084978 tlogG= -0.585517 logG= -0.670494 Density= 3.502007 ETOT(band)= -1.765231 trlgG= -2.444965 logG= -0.670494 TDE= -4.584538 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.085475 tlogG= -0.583274 logG= -0.668749 Density= 3.503854 ETOT(band)= -1.762249 trlgG= -2.442223 logG= -0.668749 TDE= -4.585024 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084414 tlogG= -0.595117 logG= -0.679531 Density= 3.499909 ETOT(band)= -1.773446 trlgG= -2.462215 logG= -0.679531 TDE= -4.591068 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.084485 tlogG= -0.593142 logG= -0.677626 Density= 3.500333 ETOT(band)= -1.771698 trlgG= -2.458166 logG= -0.677626 TDE= -4.589264 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.084810 tlogG= -0.587832 logG= -0.672643 Density= 3.501486 ETOT(band)= -1.767233 trlgG= -2.449176 logG= -0.672643 TDE= -4.586184 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084799 tlogG= -0.592145 logG= -0.676943 Density= 3.501285 ETOT(band)= -1.770346 trlgG= -2.457448 logG= -0.676943 TDE= -4.589993 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085045 tlogG= -0.587129 logG= -0.672174 Density= 3.502509 ETOT(band)= -1.765870 trlgG= -2.448035 logG= -0.672174 TDE= -4.586332 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085123 tlogG= -0.586811 logG= -0.671934 Density= 3.502619 ETOT(band)= -1.765638 trlgG= -2.448313 logG= -0.671934 TDE= -4.586938 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.085155 tlogG= -0.585123 logG= -0.670277 Density= 3.503086 ETOT(band)= -1.764012 trlgG= -2.443764 logG= -0.670277 TDE= -4.584420 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.084813 tlogG= -0.587829 logG= -0.672642 Density= 3.501476 ETOT(band)= -1.767229 trlgG= -2.448661 logG= -0.672642 TDE= -4.585660 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.084660 tlogG= -0.590185 logG= -0.674845 Density= 3.501333 ETOT(band)= -1.768815 trlgG= -2.451833 logG= -0.674845 TDE= -4.586514 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=143 logGD-logG0= -0.085265 tlogG= -0.584568 logG= -0.669833 Density= 3.503085 ETOT(band)= -1.763738 trlgG= -2.444619 logG= -0.669833 TDE= -4.585718 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.085656 tlogG= -0.580940 logG= -0.666596 Density= 3.504375 ETOT(band)= -1.760231 trlgG= -2.438377 logG= -0.666596 TDE= -4.583749 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.084861 tlogG= -0.593775 logG= -0.678637 Density= 3.501567 ETOT(band)= -1.771224 trlgG= -2.460492 logG= -0.678637 TDE= -4.591571 logGD-logG0= -0.084952 tlogG= -0.587334 logG= -0.672286 Density= 3.501954 ETOT(band)= -1.766508 trlgG= -2.448740 logG= -0.672286 TDE= -4.586478 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.086022 tlogG= -0.579754 logG= -0.665775 Density= 3.505750 ETOT(band)= -1.758380 trlgG= -2.436932 logG= -0.665775 TDE= -4.584228 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.084783 tlogG= -0.589826 logG= -0.674609 Density= 3.501594 ETOT(band)= -1.768402 trlgG= -2.451875 logG= -0.674609 TDE= -4.587002 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085565 tlogG= -0.581134 logG= -0.666698 Density= 3.503863 ETOT(band)= -1.760793 trlgG= -2.438964 logG= -0.666698 TDE= -4.583822 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.084950 tlogG= -0.589899 logG= -0.674848 Density= 3.502008 ETOT(band)= -1.768215 trlgG= -2.453181 logG= -0.674848 TDE= -4.588401 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.085281 tlogG= -0.583855 logG= -0.669136 Density= 3.503140 ETOT(band)= -1.763191 trlgG= -2.442779 logG= -0.669136 TDE= -4.584620 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.085113 tlogG= -0.585061 logG= -0.670174 Density= 3.502478 ETOT(band)= -1.764553 trlgG= -2.445015 logG= -0.670174 TDE= -4.585286 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.084849 tlogG= -0.592036 logG= -0.676885 Density= 3.501571 ETOT(band)= -1.769999 trlgG= -2.457001 logG= -0.676885 TDE= -4.589833 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084659 tlogG= -0.592611 logG= -0.677270 Density= 3.500851 ETOT(band)= -1.770942 trlgG= -2.457648 logG= -0.677270 TDE= -4.589518 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084619 tlogG= -0.594464 logG= -0.679083 Density= 3.500601 ETOT(band)= -1.772442 trlgG= -2.461395 logG= -0.679083 TDE= -4.591252 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.084601 tlogG= -0.592742 logG= -0.677343 Density= 3.500515 ETOT(band)= -1.771354 trlgG= -2.458131 logG= -0.677343 TDE= -4.589659 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084911 tlogG= -0.587606 logG= -0.672517 Density= 3.502091 ETOT(band)= -1.766522 trlgG= -2.448017 logG= -0.672517 TDE= -4.585636 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085438 tlogG= -0.584245 logG= -0.669683 Density= 3.504004 ETOT(band)= -1.762740 trlgG= -2.443496 logG= -0.669683 TDE= -4.585482 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084916 tlogG= -0.589419 logG= -0.674336 Density= 3.501983 ETOT(band)= -1.767834 trlgG= -2.451686 logG= -0.674336 TDE= -4.587398 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085677 tlogG= -0.582638 logG= -0.668315 Density= 3.504699 ETOT(band)= -1.761156 trlgG= -2.441421 logG= -0.668315 TDE= -4.585334 logGD-logG0= -0.084837 tlogG= -0.587953 logG= -0.672791 Density= 3.502309 ETOT(band)= -1.766471 trlgG= -2.446823 logG= -0.672791 TDE= -4.584343 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084638 tlogG= -0.590145 logG= -0.674782 Density= 3.500738 ETOT(band)= -1.769414 trlgG= -2.452993 logG= -0.674782 TDE= -4.587260 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085211 tlogG= -0.586631 logG= -0.671842 Density= 3.503110 ETOT(band)= -1.765083 trlgG= -2.447682 logG= -0.671842 TDE= -4.586793 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085789 tlogG= -0.580474 logG= -0.666263 Density= 3.504747 ETOT(band)= -1.759662 trlgG= -2.438076 logG= -0.666263 TDE= -4.584079 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.086335 tlogG= -0.577024 logG= -0.663360 Density= 3.506650 ETOT(band)= -1.755829 trlgG= -2.432366 logG= -0.663360 TDE= -4.582800 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.086634 tlogG= -0.576152 logG= -0.662786 Density= 3.507973 ETOT(band)= -1.754205 trlgG= -2.430819 logG= -0.662786 TDE= -4.582888 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.085884 tlogG= -0.580292 logG= -0.666176 Density= 3.505257 ETOT(band)= -1.759124 trlgG= -2.437503 logG= -0.666176 TDE= -4.584002 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.084916 tlogG= -0.587720 logG= -0.672636 Density= 3.502368 ETOT(band)= -1.766307 trlgG= -2.447474 logG= -0.672636 TDE= -4.585196 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.086121 tlogG= -0.579581 logG= -0.665702 Density= 3.506246 ETOT(band)= -1.757874 trlgG= -2.436403 logG= -0.665702 TDE= -4.584170 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.084769 tlogG= -0.590460 logG= -0.675229 Density= 3.501308 ETOT(band)= -1.769140 trlgG= -2.453763 logG= -0.675229 TDE= -4.588041 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.086045 tlogG= -0.577858 logG= -0.663903 Density= 3.505453 ETOT(band)= -1.757320 trlgG= -2.433890 logG= -0.663903 TDE= -4.582820 logGD-logG0= -0.085014 tlogG= -0.587441 logG= -0.672455 Density= 3.502556 ETOT(band)= -1.765995 trlgG= -2.447704 logG= -0.672455 TDE= -4.585757 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.084505 tlogG= -0.590545 logG= -0.675050 Density= 3.500360 ETOT(band)= -1.769968 trlgG= -2.452794 logG= -0.675050 TDE= -4.586490 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 Sum of eigenvalues= -1153.16973265859 eV TrLogG= -1599.99845548668 eV Ratio to renormalize= 0.999270728657 rho-rho_expected= 0.122606999407 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 13) Finished k-point number 14 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 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= 105 35) Finished k-point number 36 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 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= 104 31) Finished k-point number 32 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833355314739335 0.829801302091196 0.833767345108742 0.829707881606443 0.833942153715039 0.829630032234358 0.833592549360994 0.829686311924458 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.084742 tlogG= -0.590211 logG= -0.674953 Density= 3.501119 ETOT(band)= -1.769322 trlgG= -2.453772 logG= -0.674953 TDE= -4.588174 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.084566 tlogG= -0.593261 logG= -0.677826 Density= 3.500387 ETOT(band)= -1.771975 trlgG= -2.459232 logG= -0.677826 TDE= -4.590172 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085438 tlogG= -0.583799 logG= -0.669237 Density= 3.503718 ETOT(band)= -1.762880 trlgG= -2.443325 logG= -0.669237 TDE= -4.585528 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084916 tlogG= -0.587855 logG= -0.672771 Density= 3.501821 ETOT(band)= -1.767133 trlgG= -2.449825 logG= -0.672771 TDE= -4.586972 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085244 tlogG= -0.584379 logG= -0.669623 Density= 3.503005 ETOT(band)= -1.763820 trlgG= -2.443867 logG= -0.669623 TDE= -4.585112 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.084379 tlogG= -0.595635 logG= -0.680014 Density= 3.499782 ETOT(band)= -1.774064 trlgG= -2.463296 logG= -0.680014 TDE= -4.591565 logGD-logG0= -0.085076 tlogG= -0.585583 logG= -0.670660 Density= 3.502343 ETOT(band)= -1.765179 trlgG= -2.446104 logG= -0.670660 TDE= -4.585782 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.084875 tlogG= -0.588126 logG= -0.673001 Density= 3.501959 ETOT(band)= -1.767147 trlgG= -2.449100 logG= -0.673001 TDE= -4.586128 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085087 tlogG= -0.587334 logG= -0.672421 Density= 3.502484 ETOT(band)= -1.766267 trlgG= -2.449403 logG= -0.672421 TDE= -4.587433 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.085009 tlogG= -0.587651 logG= -0.672660 Density= 3.502376 ETOT(band)= -1.766496 trlgG= -2.449123 logG= -0.672660 TDE= -4.586827 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084763 tlogG= -0.592666 logG= -0.677429 Density= 3.501152 ETOT(band)= -1.770971 trlgG= -2.458556 logG= -0.677429 TDE= -4.590509 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084450 tlogG= -0.593659 logG= -0.678109 Density= 3.500205 ETOT(band)= -1.772317 trlgG= -2.459248 logG= -0.678109 TDE= -4.589760 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=144 logGD-logG0= -0.086593 tlogG= -0.576688 logG= -0.663282 Density= 3.507826 ETOT(band)= -1.754849 trlgG= -2.431945 logG= -0.663282 TDE= -4.583401 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.084801 tlogG= -0.588473 logG= -0.673274 Density= 3.502174 ETOT(band)= -1.767096 trlgG= -2.447904 logG= -0.673274 TDE= -4.584832 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084748 tlogG= -0.590345 logG= -0.675093 Density= 3.501463 ETOT(band)= -1.769024 trlgG= -2.452963 logG= -0.675093 TDE= -4.587502 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084583 tlogG= -0.594984 logG= -0.679567 Density= 3.500472 ETOT(band)= -1.773063 trlgG= -2.462498 logG= -0.679567 TDE= -4.591767 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.084774 tlogG= -0.588352 logG= -0.673127 Density= 3.501353 ETOT(band)= -1.767857 trlgG= -2.450260 logG= -0.673127 TDE= -4.586676 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084625 tlogG= -0.590703 logG= -0.675328 Density= 3.501202 ETOT(band)= -1.769436 trlgG= -2.452916 logG= -0.675328 TDE= -4.587010 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085527 tlogG= -0.581660 logG= -0.667187 Density= 3.503727 ETOT(band)= -1.761423 trlgG= -2.440051 logG= -0.667187 TDE= -4.584312 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.084574 tlogG= -0.591505 logG= -0.676079 Density= 3.500662 ETOT(band)= -1.770521 trlgG= -2.455110 logG= -0.676079 TDE= -4.588020 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.085751 tlogG= -0.581003 logG= -0.666754 Density= 3.504609 ETOT(band)= -1.760295 trlgG= -2.439185 logG= -0.666754 TDE= -4.584586 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.084942 tlogG= -0.586038 logG= -0.670979 Density= 3.501874 ETOT(band)= -1.765856 trlgG= -2.446050 logG= -0.670979 TDE= -4.585031 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.085401 tlogG= -0.584770 logG= -0.670171 Density= 3.503867 ETOT(band)= -1.763370 trlgG= -2.444589 logG= -0.670171 TDE= -4.585979 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.085253 tlogG= -0.585223 logG= -0.670476 Density= 3.503349 ETOT(band)= -1.764064 trlgG= -2.444903 logG= -0.670476 TDE= -4.585572 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085983 tlogG= -0.580284 logG= -0.666267 Density= 3.505608 ETOT(band)= -1.759017 trlgG= -2.438046 logG= -0.666267 TDE= -4.584736 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.084777 tlogG= -0.588349 logG= -0.673126 Density= 3.501344 ETOT(band)= -1.767852 trlgG= -2.449742 logG= -0.673126 TDE= -4.586152 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.084573 tlogG= -0.588977 logG= -0.673550 Density= 3.500775 ETOT(band)= -1.768713 trlgG= -2.449386 logG= -0.673550 TDE= -4.584915 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084668 tlogG= -0.588690 logG= -0.673358 Density= 3.500990 ETOT(band)= -1.768361 trlgG= -2.450188 logG= -0.673358 TDE= -4.586081 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=144 logGD-logG0= -0.084385 tlogG= -0.593810 logG= -0.678195 Density= 3.499823 ETOT(band)= -1.772791 trlgG= -2.459640 logG= -0.678195 TDE= -4.589761 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=142 logGD-logG0= -0.086082 tlogG= -0.580112 logG= -0.666194 Density= 3.506104 ETOT(band)= -1.758512 trlgG= -2.437518 logG= -0.666194 TDE= -4.584679 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.084470 tlogG= -0.591062 logG= -0.675532 Density= 3.500230 ETOT(band)= -1.770587 trlgG= -2.453875 logG= -0.675532 TDE= -4.586985 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084824 tlogG= -0.594298 logG= -0.679123 Density= 3.501433 ETOT(band)= -1.771851 trlgG= -2.461604 logG= -0.679123 TDE= -4.592089 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.084880 tlogG= -0.589940 logG= -0.674821 Density= 3.501851 ETOT(band)= -1.768458 trlgG= -2.452778 logG= -0.674821 TDE= -4.587900 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.084813 tlogG= -0.592557 logG= -0.677370 Density= 3.501439 ETOT(band)= -1.770623 trlgG= -2.458109 logG= -0.677370 TDE= -4.590350 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.086295 tlogG= -0.577558 logG= -0.663853 Density= 3.506507 ETOT(band)= -1.756469 trlgG= -2.433484 logG= -0.663853 TDE= -4.583310 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.084913 tlogG= -0.590421 logG= -0.675334 Density= 3.501874 ETOT(band)= -1.768841 trlgG= -2.454274 logG= -0.675334 TDE= -4.588901 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.085639 tlogG= -0.583166 logG= -0.668805 Density= 3.504559 ETOT(band)= -1.761790 trlgG= -2.442522 logG= -0.668805 TDE= -4.585833 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085846 tlogG= -0.580821 logG= -0.666667 Density= 3.505118 ETOT(band)= -1.759759 trlgG= -2.438613 logG= -0.666667 TDE= -4.584511 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.085118 tlogG= -0.585645 logG= -0.670763 Density= 3.502950 ETOT(band)= -1.764640 trlgG= -2.444852 logG= -0.670763 TDE= -4.584913 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.084880 tlogG= -0.588240 logG= -0.673120 Density= 3.502235 ETOT(band)= -1.766931 trlgG= -2.448561 logG= -0.673120 TDE= -4.585692 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085228 tlogG= -0.585092 logG= -0.670320 Density= 3.502948 ETOT(band)= -1.764367 trlgG= -2.445710 logG= -0.670320 TDE= -4.586212 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084733 tlogG= -0.590980 logG= -0.675713 Density= 3.501177 ETOT(band)= -1.769763 trlgG= -2.454850 logG= -0.675713 TDE= -4.588539 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=143 logGD-logG0= -0.084602 tlogG= -0.590663 logG= -0.675266 Density= 3.500608 ETOT(band)= -1.770034 trlgG= -2.454082 logG= -0.675266 TDE= -4.587761 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084978 tlogG= -0.587962 logG= -0.672940 Density= 3.502423 ETOT(band)= -1.766620 trlgG= -2.448791 logG= -0.672940 TDE= -4.586252 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084623 tlogG= -0.593131 logG= -0.677754 Density= 3.500722 ETOT(band)= -1.771563 trlgG= -2.458746 logG= -0.677754 TDE= -4.590029 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.086007 tlogG= -0.578389 logG= -0.664396 Density= 3.505313 ETOT(band)= -1.757957 trlgG= -2.434987 logG= -0.664396 TDE= -4.583312 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.085174 tlogG= -0.587155 logG= -0.672329 Density= 3.502975 ETOT(band)= -1.765711 trlgG= -2.448774 logG= -0.672329 TDE= -4.587289 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085618 tlogG= -0.581467 logG= -0.667085 Density= 3.504238 ETOT(band)= -1.760862 trlgG= -2.439466 logG= -0.667085 TDE= -4.584239 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 Sum of eigenvalues= -1153.57894615471 eV TrLogG= -1600.64224706588 eV Ratio to renormalize= 0.999308963910 rho-rho_expected= 0.116174343742 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833415455839199 0.829956063530899 0.833818364434135 0.829863548942765 0.833990557383871 0.829788283352639 0.833643342522524 0.829843417289244 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.085241 tlogG= -0.584181 logG= -0.669422 Density= 3.502971 ETOT(band)= -1.764280 trlgG= -2.444097 logG= -0.669422 TDE= -4.585517 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084569 tlogG= -0.588779 logG= -0.673349 Density= 3.500737 ETOT(band)= -1.769178 trlgG= -2.449598 logG= -0.673349 TDE= -4.585298 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084910 tlogG= -0.590221 logG= -0.675132 Density= 3.501844 ETOT(band)= -1.769300 trlgG= -2.454500 logG= -0.675132 TDE= -4.589305 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084621 tlogG= -0.592930 logG= -0.677550 Density= 3.500698 ETOT(band)= -1.772018 trlgG= -2.458971 logG= -0.677550 TDE= -4.590438 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.086078 tlogG= -0.579914 logG= -0.665992 Density= 3.506068 ETOT(band)= -1.758971 trlgG= -2.437755 logG= -0.665992 TDE= -4.585089 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.084872 tlogG= -0.587927 logG= -0.672799 Density= 3.501929 ETOT(band)= -1.767604 trlgG= -2.449322 logG= -0.672799 TDE= -4.586528 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085398 tlogG= -0.584571 logG= -0.669969 Density= 3.503835 ETOT(band)= -1.763828 trlgG= -2.444813 logG= -0.669969 TDE= -4.586379 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084878 tlogG= -0.589740 logG= -0.674618 Density= 3.501824 ETOT(band)= -1.768914 trlgG= -2.453000 logG= -0.674618 TDE= -4.588303 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084774 tlogG= -0.588151 logG= -0.672925 Density= 3.501310 ETOT(band)= -1.768313 trlgG= -2.449968 logG= -0.672925 TDE= -4.586552 logGD-logG0= -0.085746 tlogG= -0.580806 logG= -0.666552 Density= 3.504570 ETOT(band)= -1.760758 trlgG= -2.439425 logG= -0.666552 TDE= -4.584997 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.084448 tlogG= -0.593459 logG= -0.677906 Density= 3.500181 ETOT(band)= -1.772773 trlgG= -2.459455 logG= -0.677906 TDE= -4.590151 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=144 logGD-logG0= -0.084377 tlogG= -0.595434 logG= -0.679811 Density= 3.499759 ETOT(band)= -1.774520 trlgG= -2.463505 logG= -0.679811 TDE= -4.591958 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.084746 tlogG= -0.590145 logG= -0.674890 Density= 3.501436 ETOT(band)= -1.769479 trlgG= -2.453180 logG= -0.674890 TDE= -4.587900 logGD-logG0= -0.085977 tlogG= -0.580088 logG= -0.666065 Density= 3.505567 ETOT(band)= -1.759481 trlgG= -2.438287 logG= -0.666065 TDE= -4.585145 logGD-logG0= -0.086002 tlogG= -0.578193 logG= -0.664195 Density= 3.505278 ETOT(band)= -1.758416 trlgG= -2.435214 logG= -0.664195 TDE= -4.583712 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084571 tlogG= -0.591306 logG= -0.675877 Density= 3.500634 ETOT(band)= -1.770979 trlgG= -2.455323 logG= -0.675877 TDE= -4.588412 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084886 tlogG= -0.588039 logG= -0.672925 Density= 3.502202 ETOT(band)= -1.767386 trlgG= -2.448787 logG= -0.672925 TDE= -4.586086 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.085434 tlogG= -0.583602 logG= -0.669036 Density= 3.503682 ETOT(band)= -1.763340 trlgG= -2.443561 logG= -0.669036 TDE= -4.585937 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085006 tlogG= -0.587451 logG= -0.672457 Density= 3.502345 ETOT(band)= -1.766954 trlgG= -2.449348 logG= -0.672457 TDE= -4.587230 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.085842 tlogG= -0.580623 logG= -0.666465 Density= 3.505083 ETOT(band)= -1.760217 trlgG= -2.438850 logG= -0.666465 TDE= -4.584921 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.084799 tlogG= -0.588272 logG= -0.673071 Density= 3.502145 ETOT(band)= -1.767552 trlgG= -2.448102 logG= -0.673071 TDE= -4.585210 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084822 tlogG= -0.594097 logG= -0.678919 Density= 3.501411 ETOT(band)= -1.772305 trlgG= -2.461832 logG= -0.678919 TDE= -4.592503 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.084769 tlogG= -0.588155 logG= -0.672925 Density= 3.501309 ETOT(band)= -1.768326 trlgG= -2.450495 logG= -0.672925 TDE= -4.587078 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085223 tlogG= -0.584895 logG= -0.670119 Density= 3.502905 ETOT(band)= -1.764835 trlgG= -2.445940 logG= -0.670119 TDE= -4.586609 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.084738 tlogG= -0.590013 logG= -0.674750 Density= 3.501081 ETOT(band)= -1.769786 trlgG= -2.454005 logG= -0.674750 TDE= -4.588579 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085171 tlogG= -0.586956 logG= -0.672127 logGD-logG0= -0.084759 tlogG= -0.592466 logG= -0.677226 Density= 3.502944 ETOT(band)= -1.766169 trlgG= -2.449001 logG= -0.672127 TDE= -4.587693 Density= 3.501123 ETOT(band)= -1.771429 trlgG= -2.458790 logG= -0.677226 TDE= -4.590923 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084623 tlogG= -0.590502 logG= -0.675125 Density= 3.501175 ETOT(band)= -1.769892 trlgG= -2.453120 logG= -0.675125 TDE= -4.587395 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084937 tlogG= -0.585840 logG= -0.670778 Density= 3.501836 ETOT(band)= -1.766320 trlgG= -2.446286 logG= -0.670778 TDE= -4.585438 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.084912 tlogG= -0.587658 logG= -0.672569 Density= 3.501785 ETOT(band)= -1.767596 trlgG= -2.450053 logG= -0.672569 TDE= -4.587373 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084563 tlogG= -0.593061 logG= -0.677624 Density= 3.500358 ETOT(band)= -1.772433 trlgG= -2.459462 logG= -0.677624 TDE= -4.590583 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084581 tlogG= -0.594783 logG= -0.679364 Density= 3.500450 ETOT(band)= -1.773518 trlgG= -2.462726 logG= -0.679364 TDE= -4.592180 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.085614 tlogG= -0.581270 logG= -0.666884 Density= 3.504205 ETOT(band)= -1.761321 trlgG= -2.439696 logG= -0.666884 TDE= -4.584643 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.085523 tlogG= -0.581464 logG= -0.666987 Density= 3.503690 ETOT(band)= -1.761885 trlgG= -2.440284 logG= -0.666987 TDE= -4.584715 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.084811 tlogG= -0.592356 logG= -0.677167 Density= 3.501415 ETOT(band)= -1.771077 trlgG= -2.458338 logG= -0.677167 TDE= -4.590763 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084382 tlogG= -0.593610 logG= -0.677992 Density= 3.499795 ETOT(band)= -1.773250 trlgG= -2.459850 logG= -0.677992 TDE= -4.590151 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.085072 tlogG= -0.585387 logG= -0.670458 Density= 3.502303 ETOT(band)= -1.765645 trlgG= -2.446338 logG= -0.670458 TDE= -4.586185 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.084466 tlogG= -0.590864 logG= -0.675330 Density= 3.500197 ETOT(band)= -1.771050 trlgG= -2.454085 logG= -0.675330 TDE= -4.587370 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084730 tlogG= -0.590780 logG= -0.675511 Density= 3.501148 ETOT(band)= -1.770221 trlgG= -2.455073 logG= -0.675511 TDE= -4.588940 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085250 tlogG= -0.585024 logG= -0.670274 Density= 3.503317 ETOT(band)= -1.764521 trlgG= -2.445130 logG= -0.670274 TDE= -4.585975 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.086588 tlogG= -0.576492 logG= -0.663080 Density= 3.507788 ETOT(band)= -1.755310 trlgG= -2.432183 logG= -0.663080 TDE= -4.583810 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.085116 tlogG= -0.585445 logG= -0.670561 Density= 3.502919 ETOT(band)= -1.765097 trlgG= -2.445079 logG= -0.670561 TDE= -4.585318 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.084598 tlogG= -0.590465 logG= -0.675063 Density= 3.500573 ETOT(band)= -1.770498 trlgG= -2.454310 logG= -0.675063 TDE= -4.588164 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085635 tlogG= -0.582969 logG= -0.668603 Density= 3.504522 ETOT(band)= -1.762252 trlgG= -2.442751 logG= -0.668603 TDE= -4.586233 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.086291 tlogG= -0.577362 logG= -0.663652 Density= 3.506471 ETOT(band)= -1.756928 trlgG= -2.433722 logG= -0.663652 TDE= -4.583720 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.084663 tlogG= -0.588493 logG= -0.673156 Density= 3.500950 ETOT(band)= -1.768828 trlgG= -2.450416 logG= -0.673156 TDE= -4.586479 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085082 tlogG= -0.587136 logG= -0.672219 Density= 3.502446 ETOT(band)= -1.766731 trlgG= -2.449634 logG= -0.672219 TDE= -4.587835 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084976 tlogG= -0.587762 logG= -0.672737 Density= 3.502394 ETOT(band)= -1.767076 trlgG= -2.449011 logG= -0.672737 TDE= -4.586652 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 Sum of eigenvalues= -1153.87910437172 eV TrLogG= -1600.77264283146 eV Ratio to renormalize= 0.999318292209 rho-rho_expected= 0.114605036025 nargs= 1 argi=dmft2.def 8) Finished k-point number 9 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 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= 105 43) Finished k-point number 44 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833394443618926 0.829944895969049 0.833797720243823 0.829852344353034 0.833969728321665 0.829776974779756 0.833622292497212 0.829832218123882 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.084998 tlogG= -0.587452 logG= -0.672450 Density= 3.502309 ETOT(band)= -1.766817 trlgG= -2.449200 logG= -0.672450 TDE= -4.587060 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.084864 tlogG= -0.587928 logG= -0.672791 Density= 3.501893 ETOT(band)= -1.767467 trlgG= -2.449173 logG= -0.672791 TDE= -4.586358 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084730 tlogG= -0.590014 logG= -0.674744 Density= 3.501046 ETOT(band)= -1.769649 trlgG= -2.453859 logG= -0.674744 TDE= -4.588411 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.084439 tlogG= -0.593460 logG= -0.677900 Density= 3.500145 ETOT(band)= -1.772636 trlgG= -2.459307 logG= -0.677900 TDE= -4.589981 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=142 logGD-logG0= -0.084903 tlogG= -0.587659 logG= -0.672562 Density= 3.501750 ETOT(band)= -1.767458 trlgG= -2.449904 logG= -0.672562 TDE= -4.587204 logGD-logG0= -0.084813 tlogG= -0.594099 logG= -0.678912 Density= 3.501373 ETOT(band)= -1.772170 trlgG= -2.461694 logG= -0.678912 TDE= -4.592341 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.084369 tlogG= -0.595436 logG= -0.679805 Density= 3.499723 ETOT(band)= -1.774383 trlgG= -2.463358 logG= -0.679805 TDE= -4.591789 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.084563 tlogG= -0.591307 logG= -0.675870 Density= 3.500599 ETOT(band)= -1.770842 trlgG= -2.455175 logG= -0.675870 TDE= -4.588243 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084555 tlogG= -0.593063 logG= -0.677617 Density= 3.500323 ETOT(band)= -1.772297 trlgG= -2.459320 logG= -0.677617 TDE= -4.590419 logGD-logG0= -0.084561 tlogG= -0.588780 logG= -0.673341 Density= 3.500703 ETOT(band)= -1.769040 trlgG= -2.449449 logG= -0.673341 TDE= -4.585129 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085514 tlogG= -0.581464 logG= -0.666978 Density= 3.503654 ETOT(band)= -1.761748 trlgG= -2.440132 logG= -0.666978 TDE= -4.584543 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.084458 tlogG= -0.590865 logG= -0.675323 Density= 3.500163 ETOT(band)= -1.770912 trlgG= -2.453937 logG= -0.675323 TDE= -4.587202 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085389 tlogG= -0.584572 logG= -0.669961 Density= 3.503799 ETOT(band)= -1.763691 trlgG= -2.444665 logG= -0.669961 TDE= -4.586209 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.085833 tlogG= -0.580624 logG= -0.666457 Density= 3.505047 ETOT(band)= -1.760081 trlgG= -2.438704 logG= -0.666457 TDE= -4.584754 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.084765 tlogG= -0.588152 logG= -0.672918 Density= 3.501275 ETOT(band)= -1.768176 trlgG= -2.449819 logG= -0.672918 TDE= -4.586382 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.084802 tlogG= -0.592358 logG= -0.677161 Density= 3.501378 ETOT(band)= -1.770942 trlgG= -2.458197 logG= -0.677161 TDE= -4.590600 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084737 tlogG= -0.590146 logG= -0.674883 Density= 3.501400 ETOT(band)= -1.769343 trlgG= -2.453034 logG= -0.674883 TDE= -4.587732 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084374 tlogG= -0.593612 logG= -0.677986 Density= 3.499760 ETOT(band)= -1.773113 trlgG= -2.459703 logG= -0.677986 TDE= -4.589982 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.084761 tlogG= -0.588156 logG= -0.672918 Density= 3.501275 ETOT(band)= -1.768188 trlgG= -2.450345 logG= -0.672918 TDE= -4.586908 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085737 tlogG= -0.580807 logG= -0.666544 Density= 3.504534 ETOT(band)= -1.760621 trlgG= -2.439279 logG= -0.666544 TDE= -4.584830 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.084614 tlogG= -0.590504 logG= -0.675118 Density= 3.501139 ETOT(band)= -1.769755 trlgG= -2.452972 logG= -0.675118 TDE= -4.587225 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.086579 tlogG= -0.576492 logG= -0.663071 Density= 3.507751 ETOT(band)= -1.755173 trlgG= -2.432038 logG= -0.663071 TDE= -4.583643 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.084722 tlogG= -0.590782 logG= -0.675504 Density= 3.501112 ETOT(band)= -1.770084 trlgG= -2.454926 logG= -0.675504 TDE= -4.588772 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.086069 tlogG= -0.579915 logG= -0.665984 Density= 3.506031 ETOT(band)= -1.758835 trlgG= -2.437610 logG= -0.665984 TDE= -4.584923 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.084902 tlogG= -0.590223 logG= -0.675125 Density= 3.501808 ETOT(band)= -1.769164 trlgG= -2.454354 logG= -0.675125 TDE= -4.589137 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.085232 tlogG= -0.584182 logG= -0.669414 Density= 3.502936 ETOT(band)= -1.764142 trlgG= -2.443948 logG= -0.669414 TDE= -4.585346 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.085074 tlogG= -0.587138 logG= -0.672211 Density= 3.502410 ETOT(band)= -1.766594 trlgG= -2.449486 logG= -0.672211 TDE= -4.587666 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.085969 tlogG= -0.580089 logG= -0.666057 Density= 3.505530 ETOT(band)= -1.759344 trlgG= -2.438141 logG= -0.666057 TDE= -4.584979 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.085994 tlogG= -0.578193 logG= -0.664187 Density= 3.505242 ETOT(band)= -1.758279 trlgG= -2.435064 logG= -0.664187 TDE= -4.583540 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.084967 tlogG= -0.587763 logG= -0.672730 Density= 3.502358 ETOT(band)= -1.766939 trlgG= -2.448862 logG= -0.672730 TDE= -4.586482 logGD-logG0= -0.085425 tlogG= -0.583602 logG= -0.669028 Density= 3.503646 ETOT(band)= -1.763204 trlgG= -2.443414 logG= -0.669028 TDE= -4.585770 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.085063 tlogG= -0.585387 logG= -0.670451 Density= 3.502269 ETOT(band)= -1.765507 trlgG= -2.446190 logG= -0.670451 TDE= -4.586017 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084612 tlogG= -0.592932 logG= -0.677544 Density= 3.500662 ETOT(band)= -1.771881 trlgG= -2.458828 logG= -0.677544 TDE= -4.590273 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=143 logGD-logG0= -0.084870 tlogG= -0.589741 logG= -0.674611 Density= 3.501788 ETOT(band)= -1.768777 trlgG= -2.452854 logG= -0.674611 TDE= -4.588135 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084791 tlogG= -0.588272 logG= -0.673063 Density= 3.502109 ETOT(band)= -1.767415 trlgG= -2.447953 logG= -0.673063 TDE= -4.585039 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084751 tlogG= -0.592468 logG= -0.677219 Density= 3.501087 ETOT(band)= -1.771293 trlgG= -2.458649 logG= -0.677219 TDE= -4.590760 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085162 tlogG= -0.586957 logG= -0.672119 Density= 3.502907 ETOT(band)= -1.766033 trlgG= -2.448853 logG= -0.672119 TDE= -4.587524 logGD-logG0= -0.086282 tlogG= -0.577362 logG= -0.663644 Density= 3.506434 ETOT(band)= -1.756791 trlgG= -2.433577 logG= -0.663644 TDE= -4.583553 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.084573 tlogG= -0.594785 logG= -0.679358 Density= 3.500413 ETOT(band)= -1.773382 trlgG= -2.462585 logG= -0.679358 TDE= -4.592016 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.084877 tlogG= -0.588040 logG= -0.672917 Density= 3.502166 ETOT(band)= -1.767250 trlgG= -2.448639 logG= -0.672917 TDE= -4.585916 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085242 tlogG= -0.585024 logG= -0.670266 Density= 3.503281 ETOT(band)= -1.764384 trlgG= -2.444982 logG= -0.670266 TDE= -4.585806 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084590 tlogG= -0.590466 logG= -0.675057 Density= 3.500538 ETOT(band)= -1.770361 trlgG= -2.454164 logG= -0.675057 TDE= -4.587997 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.085215 tlogG= -0.584896 logG= -0.670111 Density= 3.502870 ETOT(band)= -1.764697 trlgG= -2.445791 logG= -0.670111 TDE= -4.586440 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.084929 tlogG= -0.585841 logG= -0.670770 Density= 3.501801 ETOT(band)= -1.766182 trlgG= -2.446136 logG= -0.670770 TDE= -4.585269 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.084655 tlogG= -0.588494 logG= -0.673149 Density= 3.500916 ETOT(band)= -1.768690 trlgG= -2.450266 logG= -0.673149 TDE= -4.586309 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.085107 tlogG= -0.585446 logG= -0.670553 Density= 3.502883 ETOT(band)= -1.764960 trlgG= -2.444930 logG= -0.670553 TDE= -4.585148 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.085606 tlogG= -0.581270 logG= -0.666876 Density= 3.504168 ETOT(band)= -1.761184 trlgG= -2.439545 logG= -0.666876 TDE= -4.584471 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.085626 tlogG= -0.582970 logG= -0.668595 Density= 3.504485 ETOT(band)= -1.762116 trlgG= -2.442603 logG= -0.668595 TDE= -4.586064 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1153.78971376264 eV TrLogG= -1600.65793696083 eV Ratio to renormalize= 0.999328498204 rho-rho_expected= 0.112888106299 nargs= 1 argi=dmft2.def 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= 105 29) Finished k-point number 30 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 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 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= 105 9) Finished k-point number 10 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 14) Finished k-point number 15 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= 0.833388927951696 0.829942775920140 0.833792311425254 0.829850285760251 0.833964352816442 0.829774843431110 0.833616838627675 0.829830128575902 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.085734 tlogG= -0.580767 logG= -0.666502 Density= 3.504521 ETOT(band)= -1.760522 trlgG= -2.439138 logG= -0.666502 TDE= -4.584722 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.084726 tlogG= -0.589975 logG= -0.674702 Density= 3.501033 ETOT(band)= -1.769551 trlgG= -2.453719 logG= -0.674702 TDE= -4.588303 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084365 tlogG= -0.595398 logG= -0.679763 Density= 3.499710 ETOT(band)= -1.774285 trlgG= -2.463218 logG= -0.679763 TDE= -4.591680 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.084810 tlogG= -0.594061 logG= -0.678871 Density= 3.501360 ETOT(band)= -1.772072 trlgG= -2.461556 logG= -0.678871 TDE= -4.592234 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.084611 tlogG= -0.590465 logG= -0.675076 Density= 3.501126 ETOT(band)= -1.769657 trlgG= -2.452831 logG= -0.675076 TDE= -4.587116 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084758 tlogG= -0.588118 logG= -0.672876 Density= 3.501262 ETOT(band)= -1.768090 trlgG= -2.450204 logG= -0.672876 TDE= -4.586799 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.085511 tlogG= -0.581425 logG= -0.666936 Density= 3.503642 ETOT(band)= -1.761649 trlgG= -2.439990 logG= -0.666936 TDE= -4.584433 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.084762 tlogG= -0.588113 logG= -0.672876 Density= 3.501263 ETOT(band)= -1.768077 trlgG= -2.449678 logG= -0.672876 TDE= -4.586273 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.084551 tlogG= -0.593024 logG= -0.677576 Density= 3.500310 ETOT(band)= -1.772198 trlgG= -2.459182 logG= -0.677576 TDE= -4.590312 logGD-logG0= -0.084926 tlogG= -0.585802 logG= -0.670728 Density= 3.501789 ETOT(band)= -1.766083 trlgG= -2.445995 logG= -0.670728 TDE= -4.585159 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085229 tlogG= -0.584143 logG= -0.669372 Density= 3.502923 ETOT(band)= -1.764044 trlgG= -2.443806 logG= -0.669372 TDE= -4.585237 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084734 tlogG= -0.590107 logG= -0.674841 Density= 3.501387 ETOT(band)= -1.769244 trlgG= -2.452893 logG= -0.674841 TDE= -4.587623 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.084900 tlogG= -0.587620 logG= -0.672520 Density= 3.501737 ETOT(band)= -1.767360 trlgG= -2.449763 logG= -0.672520 TDE= -4.587094 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.086576 tlogG= -0.576452 logG= -0.663028 Density= 3.507738 ETOT(band)= -1.755074 trlgG= -2.431897 logG= -0.663028 TDE= -4.583535 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.085422 tlogG= -0.583563 logG= -0.668985 Density= 3.503633 ETOT(band)= -1.763105 trlgG= -2.443274 logG= -0.668985 TDE= -4.585661 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084898 tlogG= -0.590184 logG= -0.675083 Density= 3.501794 ETOT(band)= -1.769066 trlgG= -2.454214 logG= -0.675083 TDE= -4.589028 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.084558 tlogG= -0.588742 logG= -0.673300 Density= 3.500691 ETOT(band)= -1.768941 trlgG= -2.449308 logG= -0.673300 TDE= -4.585020 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084994 tlogG= -0.587413 logG= -0.672408 Density= 3.502296 ETOT(band)= -1.766719 trlgG= -2.449059 logG= -0.672408 TDE= -4.586951 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.084436 tlogG= -0.593422 logG= -0.677858 Density= 3.500132 ETOT(band)= -1.772538 trlgG= -2.459167 logG= -0.677858 TDE= -4.589873 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=143 logGD-logG0= -0.084748 tlogG= -0.592430 logG= -0.677177 Density= 3.501074 ETOT(band)= -1.771195 trlgG= -2.458511 logG= -0.677177 TDE= -4.590653 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085104 tlogG= -0.585407 logG= -0.670510 Density= 3.502870 ETOT(band)= -1.764861 trlgG= -2.444789 logG= -0.670510 TDE= -4.585039 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.084570 tlogG= -0.594746 logG= -0.679316 Density= 3.500400 ETOT(band)= -1.773284 trlgG= -2.462447 logG= -0.679316 TDE= -4.591909 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.085212 tlogG= -0.584857 logG= -0.670069 Density= 3.502857 ETOT(band)= -1.764599 trlgG= -2.445649 logG= -0.670069 TDE= -4.586330 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.084719 tlogG= -0.590743 logG= -0.675462 Density= 3.501099 ETOT(band)= -1.769986 trlgG= -2.454786 logG= -0.675462 TDE= -4.588663 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.084559 tlogG= -0.591268 logG= -0.675828 Density= 3.500586 ETOT(band)= -1.770744 trlgG= -2.455035 logG= -0.675828 TDE= -4.588134 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085830 tlogG= -0.580584 logG= -0.666414 Density= 3.505034 ETOT(band)= -1.759982 trlgG= -2.438564 logG= -0.666414 TDE= -4.584646 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.086279 tlogG= -0.577322 logG= -0.663601 Density= 3.506421 ETOT(band)= -1.756692 trlgG= -2.433435 logG= -0.663601 TDE= -4.583444 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.086066 tlogG= -0.579875 logG= -0.665941 Density= 3.506018 ETOT(band)= -1.758735 trlgG= -2.437469 logG= -0.665941 TDE= -4.584814 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.085965 tlogG= -0.580049 logG= -0.666014 Density= 3.505518 ETOT(band)= -1.759245 trlgG= -2.438000 logG= -0.666014 TDE= -4.584870 logGD-logG0= -0.084587 tlogG= -0.590428 logG= -0.675015 Density= 3.500526 ETOT(band)= -1.770262 trlgG= -2.454024 logG= -0.675015 TDE= -4.587889 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.085603 tlogG= -0.581231 logG= -0.666833 Density= 3.504156 ETOT(band)= -1.761085 trlgG= -2.439402 logG= -0.666833 TDE= -4.584361 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.084866 tlogG= -0.589702 logG= -0.674569 Density= 3.501775 ETOT(band)= -1.768679 trlgG= -2.452713 logG= -0.674569 TDE= -4.588026 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.084964 tlogG= -0.587724 logG= -0.672688 Density= 3.502345 ETOT(band)= -1.766841 trlgG= -2.448721 logG= -0.672688 TDE= -4.586372 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.084861 tlogG= -0.587889 logG= -0.672749 Density= 3.501880 ETOT(band)= -1.767369 trlgG= -2.449031 logG= -0.672749 TDE= -4.586248 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.084874 tlogG= -0.588001 logG= -0.672875 Density= 3.502153 ETOT(band)= -1.767151 trlgG= -2.448498 logG= -0.672875 TDE= -4.585807 logGD-logG0= -0.084799 tlogG= -0.592320 logG= -0.677119 Density= 3.501365 ETOT(band)= -1.770844 trlgG= -2.458059 logG= -0.677119 TDE= -4.590493 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.085238 tlogG= -0.584985 logG= -0.670223 Density= 3.503268 ETOT(band)= -1.764286 trlgG= -2.444841 logG= -0.670223 TDE= -4.585697 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084652 tlogG= -0.588455 logG= -0.673107 Density= 3.500903 ETOT(band)= -1.768591 trlgG= -2.450125 logG= -0.673107 TDE= -4.586200 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=144 logGD-logG0= -0.084787 tlogG= -0.588234 logG= -0.673021 Density= 3.502096 ETOT(band)= -1.767316 trlgG= -2.447812 logG= -0.673021 TDE= -4.584930 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.084609 tlogG= -0.592893 logG= -0.677502 Density= 3.500649 ETOT(band)= -1.771783 trlgG= -2.458690 logG= -0.677502 TDE= -4.590166 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=143 logGD-logG0= -0.085991 tlogG= -0.578153 logG= -0.664144 Density= 3.505229 ETOT(band)= -1.758180 trlgG= -2.434921 logG= -0.664144 TDE= -4.583430 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.084455 tlogG= -0.590826 logG= -0.675281 Density= 3.500150 ETOT(band)= -1.770813 trlgG= -2.453797 logG= -0.675281 TDE= -4.587093 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085623 tlogG= -0.582930 logG= -0.668553 Density= 3.504472 ETOT(band)= -1.762017 trlgG= -2.442462 logG= -0.668553 TDE= -4.585955 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085060 tlogG= -0.585348 logG= -0.670408 Density= 3.502256 ETOT(band)= -1.765408 trlgG= -2.446049 logG= -0.670408 TDE= -4.585908 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.085386 tlogG= -0.584533 logG= -0.669919 Density= 3.503786 ETOT(band)= -1.763592 trlgG= -2.444523 logG= -0.669919 TDE= -4.586100 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.085159 tlogG= -0.586918 logG= -0.672077 Density= 3.502894 ETOT(band)= -1.765935 trlgG= -2.448712 logG= -0.672077 TDE= -4.587415 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.084370 tlogG= -0.593574 logG= -0.677944 Density= 3.499747 ETOT(band)= -1.773015 trlgG= -2.459562 logG= -0.677944 TDE= -4.589873 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.085071 tlogG= -0.587099 logG= -0.672169 Density= 3.502397 ETOT(band)= -1.766495 trlgG= -2.449345 logG= -0.672169 TDE= -4.587557 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1153.72542316308 eV TrLogG= -1600.55937963158 eV Ratio to renormalize= 0.999332143562 rho-rho_expected= 0.112274865076 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 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 42) Finished k-point number 43 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833395414107507 0.829948486076845 0.833798720785115 0.829856027171087 0.833970777821016 0.829780570263573 0.833623294756816 0.829835858069511 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.098269 tlogG= -0.587994 logG= -0.686264 Density= 3.497125 ETOT(band)= -1.771311 trlgG= -2.466941 logG= -0.686264 TDE= -4.586827 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.099103 tlogG= -0.580662 logG= -0.679765 Density= 3.499121 ETOT(band)= -1.764528 trlgG= -2.456762 logG= -0.679765 TDE= -4.584749 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098202 tlogG= -0.592309 logG= -0.690511 Density= 3.496811 ETOT(band)= -1.774402 trlgG= -2.475291 logG= -0.690511 TDE= -4.590678 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.097978 tlogG= -0.593299 logG= -0.691278 Density= 3.496464 ETOT(band)= -1.775422 trlgG= -2.475558 logG= -0.691278 TDE= -4.589900 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=142 logGD-logG0= -0.097892 tlogG= -0.595275 logG= -0.693167 Density= 3.496129 ETOT(band)= -1.777068 trlgG= -2.479524 logG= -0.693167 TDE= -4.591708 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098094 tlogG= -0.591147 logG= -0.689241 Density= 3.496764 ETOT(band)= -1.773746 trlgG= -2.471542 logG= -0.689241 TDE= -4.588162 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098254 tlogG= -0.589989 logG= -0.688243 Density= 3.497249 ETOT(band)= -1.772476 trlgG= -2.469643 logG= -0.688243 TDE= -4.587651 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098689 tlogG= -0.584031 logG= -0.682720 Density= 3.498241 ETOT(band)= -1.767627 trlgG= -2.460940 logG= -0.682720 TDE= -4.585265 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098535 tlogG= -0.585230 logG= -0.683765 Density= 3.497794 ETOT(band)= -1.768830 trlgG= -2.463014 logG= -0.683765 TDE= -4.585936 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.097913 tlogG= -0.593449 logG= -0.691362 Density= 3.496230 ETOT(band)= -1.775776 trlgG= -2.475830 logG= -0.691362 TDE= -4.589901 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.098212 tlogG= -0.590623 logG= -0.688836 Density= 3.496989 ETOT(band)= -1.773146 trlgG= -2.471485 logG= -0.688836 TDE= -4.588690 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.099796 tlogG= -0.576362 logG= -0.676158 Density= 3.500845 ETOT(band)= -1.760042 trlgG= -2.450585 logG= -0.676158 TDE= -4.583562 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098127 tlogG= -0.588614 logG= -0.686741 Density= 3.496951 ETOT(band)= -1.771943 trlgG= -2.465778 logG= -0.686741 TDE= -4.585048 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098234 tlogG= -0.593941 logG= -0.692176 Density= 3.496868 ETOT(band)= -1.775410 trlgG= -2.478491 logG= -0.692176 TDE= -4.592259 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.099330 tlogG= -0.578055 logG= -0.677386 Density= 3.499652 ETOT(band)= -1.762298 trlgG= -2.452667 logG= -0.677386 TDE= -4.583459 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.098250 tlogG= -0.592201 logG= -0.690451 Density= 3.497007 ETOT(band)= -1.774125 trlgG= -2.474914 logG= -0.690451 TDE= -4.590519 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098284 tlogG= -0.587992 logG= -0.686276 Density= 3.497236 ETOT(band)= -1.771229 trlgG= -2.466338 logG= -0.686276 TDE= -4.586301 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.098015 tlogG= -0.590700 logG= -0.688715 Density= 3.496568 ETOT(band)= -1.773665 trlgG= -2.470132 logG= -0.688715 TDE= -4.587121 logGD-logG0= -0.098170 tlogG= -0.590345 logG= -0.688514 Density= 3.497150 ETOT(band)= -1.772824 trlgG= -2.469488 logG= -0.688514 TDE= -4.587144 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098595 tlogG= -0.586806 logG= -0.685401 Density= 3.498032 ETOT(band)= -1.769615 trlgG= -2.465966 logG= -0.685401 TDE= -4.587443 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098437 tlogG= -0.585682 logG= -0.684119 Density= 3.497608 ETOT(band)= -1.769343 trlgG= -2.462769 logG= -0.684119 TDE= -4.585188 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.098193 tlogG= -0.588330 logG= -0.686523 Density= 3.497001 ETOT(band)= -1.771674 trlgG= -2.466701 logG= -0.686523 TDE= -4.586228 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098837 tlogG= -0.583454 logG= -0.682291 Density= 3.498562 ETOT(band)= -1.766922 trlgG= -2.460676 logG= -0.682291 TDE= -4.585689 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098217 tlogG= -0.589853 logG= -0.688070 Density= 3.496915 ETOT(band)= -1.772711 trlgG= -2.470419 logG= -0.688070 TDE= -4.588330 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.099189 tlogG= -0.580483 logG= -0.679672 Density= 3.499413 ETOT(band)= -1.764151 trlgG= -2.456359 logG= -0.679672 TDE= -4.584673 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.098606 tlogG= -0.585294 logG= -0.683900 Density= 3.498230 ETOT(band)= -1.768477 trlgG= -2.461931 logG= -0.683900 TDE= -4.585067 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098473 tlogG= -0.587299 logG= -0.685772 Density= 3.497767 ETOT(band)= -1.770200 trlgG= -2.466085 logG= -0.685772 TDE= -4.586979 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.099284 tlogG= -0.579947 logG= -0.679231 Density= 3.499581 ETOT(band)= -1.763597 trlgG= -2.456007 logG= -0.679231 TDE= -4.584898 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098380 tlogG= -0.587772 logG= -0.686152 Density= 3.497596 ETOT(band)= -1.770723 trlgG= -2.465900 logG= -0.686152 TDE= -4.586277 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.098928 tlogG= -0.581316 logG= -0.680244 Density= 3.498717 ETOT(band)= -1.765359 trlgG= -2.457280 logG= -0.680244 TDE= -4.584463 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098351 tlogG= -0.588116 logG= -0.686468 Density= 3.497779 ETOT(band)= -1.770775 trlgG= -2.464751 logG= -0.686468 TDE= -4.584958 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.098991 tlogG= -0.582824 logG= -0.681815 Density= 3.498946 ETOT(band)= -1.766123 trlgG= -2.460186 logG= -0.681815 TDE= -4.585983 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.098458 tlogG= -0.587611 logG= -0.686069 Density= 3.497814 ETOT(band)= -1.770361 trlgG= -2.465766 logG= -0.686069 TDE= -4.586401 logGD-logG0= -0.099372 tlogG= -0.579778 logG= -0.679150 Density= 3.499878 ETOT(band)= -1.763235 trlgG= -2.455632 logG= -0.679150 TDE= -4.584842 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.099560 tlogG= -0.577228 logG= -0.676788 Density= 3.500220 ETOT(band)= -1.761209 trlgG= -2.451626 logG= -0.676788 TDE= -4.583472 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.099012 tlogG= -0.581126 logG= -0.680138 Density= 3.499003 ETOT(band)= -1.764966 trlgG= -2.456871 logG= -0.680138 TDE= -4.584390 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098806 tlogG= -0.584426 logG= -0.683231 Density= 3.498619 ETOT(band)= -1.767498 trlgG= -2.462011 logG= -0.683231 TDE= -4.586128 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.098047 tlogG= -0.594625 logG= -0.692672 Density= 3.496440 ETOT(band)= -1.776284 trlgG= -2.479007 logG= -0.692672 TDE= -4.591935 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.098113 tlogG= -0.590303 logG= -0.688417 Density= 3.496716 ETOT(band)= -1.773236 trlgG= -2.470511 logG= -0.688417 TDE= -4.587916 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098347 tlogG= -0.590067 logG= -0.688414 Density= 3.497290 ETOT(band)= -1.772468 trlgG= -2.471187 logG= -0.688414 TDE= -4.589056 logGD-logG0= -0.098649 tlogG= -0.584742 logG= -0.683391 Density= 3.498046 ETOT(band)= -1.768238 trlgG= -2.462861 logG= -0.683391 TDE= -4.586359 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098052 tlogG= -0.592901 logG= -0.690953 Density= 3.496477 ETOT(band)= -1.775136 trlgG= -2.475660 logG= -0.690953 TDE= -4.590338 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098384 tlogG= -0.587501 logG= -0.685885 Density= 3.497431 ETOT(band)= -1.770669 trlgG= -2.466612 logG= -0.685885 TDE= -4.587123 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098403 tlogG= -0.587886 logG= -0.686290 Density= 3.497762 ETOT(band)= -1.770613 trlgG= -2.465464 logG= -0.686290 TDE= -4.585835 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098700 tlogG= -0.584875 logG= -0.683575 Density= 3.498391 ETOT(band)= -1.768023 trlgG= -2.462134 logG= -0.683575 TDE= -4.585725 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.098108 tlogG= -0.592772 logG= -0.690880 Density= 3.496693 ETOT(band)= -1.774819 trlgG= -2.475268 logG= -0.690880 TDE= -4.590192 logGD-logG0= -0.098515 tlogG= -0.586982 logG= -0.685497 Density= 3.497717 ETOT(band)= -1.770037 trlgG= -2.466456 logG= -0.685497 TDE= -4.587585 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098346 tlogG= -0.589587 logG= -0.687933 Density= 3.497397 ETOT(band)= -1.772039 trlgG= -2.469618 logG= -0.687933 TDE= -4.588054 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 Sum of eigenvalues= -1155.99901890335 eV TrLogG= -1609.29437924436 eV Ratio to renormalize= 1.000635923167 rho-rho_expected=-0.106767196379 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833392997561717 0.829946677667380 0.833796346743169 0.829854184821980 0.833968380673986 0.829778757265721 0.833620898362812 0.829834035602302 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.099102 tlogG= -0.580659 logG= -0.679761 Density= 3.499117 ETOT(band)= -1.764533 trlgG= -2.456763 logG= -0.679761 TDE= -4.584751 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098383 tlogG= -0.587499 logG= -0.685881 Density= 3.497427 ETOT(band)= -1.770674 trlgG= -2.466613 logG= -0.685881 TDE= -4.587125 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.097977 tlogG= -0.593297 logG= -0.691274 Density= 3.496460 ETOT(band)= -1.775427 trlgG= -2.475560 logG= -0.691274 TDE= -4.589902 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.098835 tlogG= -0.583451 logG= -0.682287 Density= 3.498559 ETOT(band)= -1.766927 trlgG= -2.460677 logG= -0.682287 TDE= -4.585691 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098687 tlogG= -0.584028 logG= -0.682716 Density= 3.498237 ETOT(band)= -1.767633 trlgG= -2.460941 logG= -0.682716 TDE= -4.585267 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098233 tlogG= -0.593939 logG= -0.692172 Density= 3.496864 ETOT(band)= -1.775415 trlgG= -2.478493 logG= -0.692172 TDE= -4.592262 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.099282 tlogG= -0.579945 logG= -0.679227 Density= 3.499578 ETOT(band)= -1.763603 trlgG= -2.456009 logG= -0.679227 TDE= -4.584900 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098471 tlogG= -0.587297 logG= -0.685768 Density= 3.497763 ETOT(band)= -1.770206 trlgG= -2.466086 logG= -0.685768 TDE= -4.586981 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098435 tlogG= -0.585679 logG= -0.684115 Density= 3.497604 ETOT(band)= -1.769348 trlgG= -2.462769 logG= -0.684115 TDE= -4.585190 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098201 tlogG= -0.592307 logG= -0.690507 Density= 3.496807 ETOT(band)= -1.774407 trlgG= -2.475293 logG= -0.690507 TDE= -4.590681 logGD-logG0= -0.098168 tlogG= -0.590342 logG= -0.688510 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Density= 3.497146 ETOT(band)= -1.772829 trlgG= -2.469489 logG= -0.688510 TDE= -4.587146 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098252 tlogG= -0.589987 logG= -0.688239 Density= 3.497246 ETOT(band)= -1.772481 trlgG= -2.469645 logG= -0.688239 TDE= -4.587653 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098648 tlogG= -0.584739 logG= -0.683387 Density= 3.498042 ETOT(band)= -1.768244 trlgG= -2.462862 logG= -0.683387 TDE= -4.586361 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098282 tlogG= -0.587990 logG= -0.686272 Density= 3.497232 ETOT(band)= -1.771234 trlgG= -2.466339 logG= -0.686272 TDE= -4.586303 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.097891 tlogG= -0.595272 logG= -0.693163 Density= 3.496125 ETOT(band)= -1.777074 trlgG= -2.479525 logG= -0.693163 TDE= -4.591710 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098046 tlogG= -0.594623 logG= -0.692669 Density= 3.496436 ETOT(band)= -1.776289 trlgG= -2.479009 logG= -0.692669 TDE= -4.591938 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098698 tlogG= -0.584873 logG= -0.683571 Density= 3.498387 ETOT(band)= -1.768028 trlgG= -2.462135 logG= -0.683571 TDE= -4.585727 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098350 tlogG= -0.588114 logG= -0.686464 Density= 3.497775 ETOT(band)= -1.770781 trlgG= -2.464751 logG= -0.686464 TDE= -4.584960 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098126 tlogG= -0.588612 logG= -0.686737 Density= 3.496948 ETOT(band)= -1.771949 trlgG= -2.465779 logG= -0.686737 TDE= -4.585050 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098093 tlogG= -0.591144 logG= -0.689237 Density= 3.496760 ETOT(band)= -1.773751 trlgG= -2.471543 logG= -0.689237 TDE= -4.588164 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098050 tlogG= -0.592899 logG= -0.690949 Density= 3.496474 ETOT(band)= -1.775142 trlgG= -2.475662 logG= -0.690949 TDE= -4.590341 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098216 tlogG= -0.589851 logG= -0.688067 Density= 3.496912 ETOT(band)= -1.772716 trlgG= -2.470420 logG= -0.688067 TDE= -4.588333 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098533 tlogG= -0.585228 logG= -0.683761 Density= 3.497790 ETOT(band)= -1.768835 trlgG= -2.463015 logG= -0.683761 TDE= -4.585938 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.098513 tlogG= -0.586980 logG= -0.685493 Density= 3.497713 ETOT(band)= -1.770043 trlgG= -2.466457 logG= -0.685493 TDE= -4.587587 logGD-logG0= -0.099371 tlogG= -0.579775 logG= -0.679146 Density= 3.499874 ETOT(band)= -1.763241 trlgG= -2.455634 logG= -0.679146 TDE= -4.584844 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098345 tlogG= -0.589584 logG= -0.687929 Density= 3.497393 ETOT(band)= -1.772045 trlgG= -2.469620 logG= -0.687929 TDE= -4.588056 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.099795 tlogG= -0.576360 logG= -0.676155 Density= 3.500841 ETOT(band)= -1.760047 trlgG= -2.450587 logG= -0.676155 TDE= -4.583564 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098927 tlogG= -0.581314 logG= -0.680241 Density= 3.498713 ETOT(band)= -1.765364 trlgG= -2.457280 logG= -0.680241 TDE= -4.584464 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098804 tlogG= -0.584423 logG= -0.683228 Density= 3.498615 ETOT(band)= -1.767503 trlgG= -2.462012 logG= -0.683228 TDE= -4.586130 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.098112 tlogG= -0.590301 logG= -0.688413 Density= 3.496712 ETOT(band)= -1.773241 trlgG= -2.470512 logG= -0.688413 TDE= -4.587918 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098248 tlogG= -0.592199 logG= -0.690447 Density= 3.497003 ETOT(band)= -1.774130 trlgG= -2.474916 logG= -0.690447 TDE= -4.590521 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.098268 tlogG= -0.587992 logG= -0.686260 Density= 3.497121 ETOT(band)= -1.771317 trlgG= -2.466942 logG= -0.686260 TDE= -4.586829 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098378 tlogG= -0.587769 logG= -0.686148 Density= 3.497592 ETOT(band)= -1.770728 trlgG= -2.465901 logG= -0.686148 TDE= -4.586278 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.098192 tlogG= -0.588327 logG= -0.686519 Density= 3.496997 ETOT(band)= -1.771679 trlgG= -2.466702 logG= -0.686519 TDE= -4.586230 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.098346 tlogG= -0.590064 logG= -0.688410 Density= 3.497286 ETOT(band)= -1.772473 trlgG= -2.471189 logG= -0.688410 TDE= -4.589058 logGD-logG0= -0.099329 tlogG= -0.578053 logG= -0.677382 Density= 3.499648 ETOT(band)= -1.762303 trlgG= -2.452667 logG= -0.677382 TDE= -4.583461 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.097911 tlogG= -0.593447 logG= -0.691358 Density= 3.496226 ETOT(band)= -1.775782 trlgG= -2.475832 logG= -0.691358 TDE= -4.589903 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.098211 tlogG= -0.590621 logG= -0.688832 Density= 3.496985 ETOT(band)= -1.773151 trlgG= -2.471486 logG= -0.688832 TDE= -4.588692 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098593 tlogG= -0.586804 logG= -0.685397 Density= 3.498028 ETOT(band)= -1.769620 trlgG= -2.465967 logG= -0.685397 TDE= -4.587445 logGD-logG0= -0.099559 tlogG= -0.577225 logG= -0.676784 Density= 3.500216 ETOT(band)= -1.761214 trlgG= -2.451628 logG= -0.676784 TDE= -4.583474 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.099187 tlogG= -0.580481 logG= -0.679668 Density= 3.499409 ETOT(band)= -1.764156 trlgG= -2.456361 logG= -0.679668 TDE= -4.584675 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.098402 tlogG= -0.587884 logG= -0.686286 Density= 3.497758 ETOT(band)= -1.770617 trlgG= -2.465465 logG= -0.686286 TDE= -4.585837 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098013 tlogG= -0.590698 logG= -0.688711 Density= 3.496565 ETOT(band)= -1.773671 trlgG= -2.470133 logG= -0.688711 TDE= -4.587123 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098106 tlogG= -0.592770 logG= -0.690876 Density= 3.496689 ETOT(band)= -1.774825 trlgG= -2.475270 logG= -0.690876 TDE= -4.590195 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098456 tlogG= -0.587609 logG= -0.686065 Density= 3.497811 ETOT(band)= -1.770367 trlgG= -2.465767 logG= -0.686065 TDE= -4.586403 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098990 tlogG= -0.582822 logG= -0.681811 Density= 3.498942 ETOT(band)= -1.766128 trlgG= -2.460187 logG= -0.681811 TDE= -4.585985 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.099010 tlogG= -0.581124 logG= -0.680134 Density= 3.499000 ETOT(band)= -1.764971 trlgG= -2.456872 logG= -0.680134 TDE= -4.584392 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098604 tlogG= -0.585292 logG= -0.683896 Density= 3.498226 ETOT(band)= -1.768482 trlgG= -2.461932 logG= -0.683896 TDE= -4.585069 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 Sum of eigenvalues= -1156.00249022374 eV TrLogG= -1609.29321573871 eV Ratio to renormalize= 1.000637001409 rho-rho_expected=-0.106948110665 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 26) Finished k-point number 27 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 6) Finished k-point number 7 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833395407881811 0.829946908938308 0.833798929757052 0.829854293533932 0.833970808771718 0.829778995804521 0.833623304272707 0.829834277723865 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.098093 tlogG= -0.591138 logG= -0.689230 Density= 3.496761 ETOT(band)= -1.773749 trlgG= -2.471535 logG= -0.689230 TDE= -4.588163 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098471 tlogG= -0.587290 logG= -0.685761 Density= 3.497764 ETOT(band)= -1.770203 trlgG= -2.466078 logG= -0.685761 TDE= -4.586979 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098457 tlogG= -0.587602 logG= -0.686059 Density= 3.497811 ETOT(band)= -1.770364 trlgG= -2.465759 logG= -0.686059 TDE= -4.586401 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098283 tlogG= -0.587983 logG= -0.686266 Density= 3.497233 ETOT(band)= -1.771232 trlgG= -2.466331 logG= -0.686266 TDE= -4.586302 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.099371 tlogG= -0.579769 logG= -0.679140 Density= 3.499875 ETOT(band)= -1.763238 trlgG= -2.455625 logG= -0.679140 TDE= -4.584842 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.097891 tlogG= -0.595266 logG= -0.693156 Density= 3.496125 ETOT(band)= -1.777071 trlgG= -2.479517 logG= -0.693156 TDE= -4.591709 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098268 tlogG= -0.587986 logG= -0.686253 Density= 3.497121 ETOT(band)= -1.771315 trlgG= -2.466933 logG= -0.686253 TDE= -4.586828 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.098648 tlogG= -0.584733 logG= -0.683380 Density= 3.498042 ETOT(band)= -1.768242 trlgG= -2.462853 logG= -0.683380 TDE= -4.586359 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098350 tlogG= -0.588107 logG= -0.686457 Density= 3.497776 ETOT(band)= -1.770778 trlgG= -2.464744 logG= -0.686457 TDE= -4.584959 logGD-logG0= -0.098201 tlogG= -0.592300 logG= -0.690501 Density= 3.496808 ETOT(band)= -1.774405 trlgG= -2.475284 logG= -0.690501 TDE= -4.590680 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.099102 tlogG= -0.580653 logG= -0.679754 Density= 3.499118 ETOT(band)= -1.764531 trlgG= -2.456755 logG= -0.679754 TDE= -4.584750 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.097977 tlogG= -0.593290 logG= -0.691267 Density= 3.496460 ETOT(band)= -1.775425 trlgG= -2.475552 logG= -0.691267 TDE= -4.589901 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.098046 tlogG= -0.594616 logG= -0.692662 Density= 3.496437 ETOT(band)= -1.776287 trlgG= -2.479000 logG= -0.692662 TDE= -4.591936 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.099282 tlogG= -0.579938 logG= -0.679221 Density= 3.499578 ETOT(band)= -1.763600 trlgG= -2.456000 logG= -0.679221 TDE= -4.584898 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.098836 tlogG= -0.583445 logG= -0.682280 Density= 3.498559 ETOT(band)= -1.766925 trlgG= -2.460669 logG= -0.682280 TDE= -4.585689 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.098168 tlogG= -0.590336 logG= -0.688504 Density= 3.497147 ETOT(band)= -1.772827 trlgG= -2.469481 logG= -0.688504 TDE= -4.587145 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098533 tlogG= -0.585221 logG= -0.683754 Density= 3.497791 ETOT(band)= -1.768833 trlgG= -2.463006 logG= -0.683754 TDE= -4.585936 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.098688 tlogG= -0.584022 logG= -0.682709 Density= 3.498237 ETOT(band)= -1.767630 trlgG= -2.460932 logG= -0.682709 TDE= -4.585266 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098927 tlogG= -0.581307 logG= -0.680234 Density= 3.498713 ETOT(band)= -1.765362 trlgG= -2.457272 logG= -0.680234 TDE= -4.584463 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098233 tlogG= -0.593932 logG= -0.692165 Density= 3.496865 ETOT(band)= -1.775413 trlgG= -2.478484 logG= -0.692165 TDE= -4.592260 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098435 tlogG= -0.585673 logG= -0.684108 Density= 3.497605 ETOT(band)= -1.769346 trlgG= -2.462761 logG= -0.684108 TDE= -4.585188 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.098378 tlogG= -0.587763 logG= -0.686141 Density= 3.497593 ETOT(band)= -1.770726 trlgG= -2.465892 logG= -0.686141 TDE= -4.586277 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.098126 tlogG= -0.588605 logG= -0.686731 Density= 3.496948 ETOT(band)= -1.771946 trlgG= -2.465771 logG= -0.686731 TDE= -4.585049 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098345 tlogG= -0.589578 logG= -0.687923 Density= 3.497393 ETOT(band)= -1.772042 trlgG= -2.469611 logG= -0.687923 TDE= -4.588054 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.098216 tlogG= -0.589844 logG= -0.688060 Density= 3.496912 ETOT(band)= -1.772713 trlgG= -2.470412 logG= -0.688060 TDE= -4.588331 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.097911 tlogG= -0.593440 logG= -0.691351 Density= 3.496227 ETOT(band)= -1.775779 trlgG= -2.475824 logG= -0.691351 TDE= -4.589902 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.098252 tlogG= -0.589980 logG= -0.688232 Density= 3.497246 ETOT(band)= -1.772479 trlgG= -2.469636 logG= -0.688232 TDE= -4.587652 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098513 tlogG= -0.586973 logG= -0.685486 Density= 3.497714 ETOT(band)= -1.770041 trlgG= -2.466449 logG= -0.685486 TDE= -4.587585 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098013 tlogG= -0.590691 logG= -0.688705 Density= 3.496565 ETOT(band)= -1.773668 trlgG= -2.470125 logG= -0.688705 TDE= -4.587122 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.098346 tlogG= -0.590058 logG= -0.688404 Density= 3.497287 ETOT(band)= -1.772471 trlgG= -2.471180 logG= -0.688404 TDE= -4.589057 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098211 tlogG= -0.590614 logG= -0.688825 Density= 3.496986 ETOT(band)= -1.773149 trlgG= -2.471478 logG= -0.688825 TDE= -4.588691 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098050 tlogG= -0.592892 logG= -0.690943 Density= 3.496474 ETOT(band)= -1.775139 trlgG= -2.475654 logG= -0.690943 TDE= -4.590339 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098605 tlogG= -0.585286 logG= -0.683890 Density= 3.498226 ETOT(band)= -1.768480 trlgG= -2.461924 logG= -0.683890 TDE= -4.585068 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.099329 tlogG= -0.578046 logG= -0.677375 Density= 3.499649 ETOT(band)= -1.762301 trlgG= -2.452659 logG= -0.677375 TDE= -4.583459 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.098593 tlogG= -0.586797 logG= -0.685390 Density= 3.498029 ETOT(band)= -1.769618 trlgG= -2.465958 logG= -0.685390 TDE= -4.587443 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098402 tlogG= -0.587878 logG= -0.686279 Density= 3.497758 ETOT(band)= -1.770616 trlgG= -2.465456 logG= -0.686279 TDE= -4.585836 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098192 tlogG= -0.588321 logG= -0.686512 Density= 3.496997 ETOT(band)= -1.771677 trlgG= -2.466693 logG= -0.686512 TDE= -4.586229 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.099187 tlogG= -0.580474 logG= -0.679662 Density= 3.499410 ETOT(band)= -1.764154 trlgG= -2.456352 logG= -0.679662 TDE= -4.584674 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.099795 tlogG= -0.576353 logG= -0.676148 Density= 3.500842 ETOT(band)= -1.760045 trlgG= -2.450578 logG= -0.676148 TDE= -4.583562 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098990 tlogG= -0.582815 logG= -0.681805 Density= 3.498943 ETOT(band)= -1.766126 trlgG= -2.460179 logG= -0.681805 TDE= -4.585983 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.098106 tlogG= -0.592763 logG= -0.690870 Density= 3.496690 ETOT(band)= -1.774822 trlgG= -2.475262 logG= -0.690870 TDE= -4.590193 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098804 tlogG= -0.584417 logG= -0.683221 Density= 3.498616 ETOT(band)= -1.767501 trlgG= -2.462003 logG= -0.683221 TDE= -4.586128 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.098383 tlogG= -0.587492 logG= -0.685875 Density= 3.497428 ETOT(band)= -1.770672 trlgG= -2.466605 logG= -0.685875 TDE= -4.587123 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098112 tlogG= -0.590294 logG= -0.688406 Density= 3.496713 ETOT(band)= -1.773239 trlgG= -2.470504 logG= -0.688406 TDE= -4.587917 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.099010 tlogG= -0.581118 logG= -0.680128 Density= 3.499000 ETOT(band)= -1.764969 trlgG= -2.456863 logG= -0.680128 TDE= -4.584390 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.099559 tlogG= -0.577219 logG= -0.676778 Density= 3.500216 ETOT(band)= -1.761212 trlgG= -2.451619 logG= -0.676778 TDE= -4.583472 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.098248 tlogG= -0.592192 logG= -0.690441 Density= 3.497004 ETOT(band)= -1.774128 trlgG= -2.474907 logG= -0.690441 TDE= -4.590520 logGD-logG0= -0.098698 tlogG= -0.584867 logG= -0.683565 Density= 3.498387 ETOT(band)= -1.768026 trlgG= -2.462127 logG= -0.683565 TDE= -4.585726 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Sum of eigenvalues= -1156.00095348401 eV TrLogG= -1609.28801577735 eV Ratio to renormalize= 1.000636837551 rho-rho_expected=-0.106920617447 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 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= 104 14) Finished k-point number 15 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 33) Finished k-point number 34 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 36) Finished k-point number 37 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 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= 105 29) Finished k-point number 30 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833400754885295 0.829956914312566 0.833804143868796 0.829864421691527 0.833976083411633 0.829789034739502 0.833628648861045 0.829844322157168 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.097982 tlogG= -0.593290 logG= -0.691272 Density= 3.496473 ETOT(band)= -1.775436 trlgG= -2.475567 logG= -0.691272 TDE= -4.589922 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.098238 tlogG= -0.593931 logG= -0.692169 Density= 3.496877 ETOT(band)= -1.775424 trlgG= -2.478497 logG= -0.692169 TDE= -4.592279 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.098131 tlogG= -0.588605 logG= -0.686735 Density= 3.496960 ETOT(band)= -1.771958 trlgG= -2.465787 logG= -0.686735 TDE= -4.585070 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098693 tlogG= -0.584021 logG= -0.682714 Density= 3.498250 ETOT(band)= -1.767642 trlgG= -2.460950 logG= -0.682714 TDE= -4.585289 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.099334 tlogG= -0.578045 logG= -0.677380 Density= 3.499662 ETOT(band)= -1.762312 trlgG= -2.452677 logG= -0.677380 TDE= -4.583483 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.098216 tlogG= -0.590614 logG= -0.688829 Density= 3.496998 ETOT(band)= -1.773160 trlgG= -2.471493 logG= -0.688829 TDE= -4.588713 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098388 tlogG= -0.587491 logG= -0.685879 Density= 3.497440 ETOT(band)= -1.770683 trlgG= -2.466622 logG= -0.685879 TDE= -4.587146 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098221 tlogG= -0.589843 logG= -0.688064 Density= 3.496924 ETOT(band)= -1.772726 trlgG= -2.470427 logG= -0.688064 TDE= -4.588352 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098462 tlogG= -0.587601 logG= -0.686063 Density= 3.497824 ETOT(band)= -1.770376 trlgG= -2.465776 logG= -0.686063 TDE= -4.586424 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098384 tlogG= -0.587762 logG= -0.686146 Density= 3.497605 ETOT(band)= -1.770737 trlgG= -2.465909 logG= -0.686146 TDE= -4.586299 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.098932 tlogG= -0.581306 logG= -0.680238 Density= 3.498726 ETOT(band)= -1.765373 trlgG= -2.457290 logG= -0.680238 TDE= -4.584487 logGD-logG0= -0.098206 tlogG= -0.592299 logG= -0.690505 Density= 3.496820 ETOT(band)= -1.774417 trlgG= -2.475298 logG= -0.690505 TDE= -4.590699 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098440 tlogG= -0.585672 logG= -0.684113 Density= 3.497617 ETOT(band)= -1.769358 trlgG= -2.462778 logG= -0.684113 TDE= -4.585211 logGD-logG0= -0.098288 tlogG= -0.587983 logG= -0.686270 Density= 3.497245 ETOT(band)= -1.771244 trlgG= -2.466348 logG= -0.686270 TDE= -4.586324 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098273 tlogG= -0.587985 logG= -0.686258 Density= 3.497134 ETOT(band)= -1.771326 trlgG= -2.466950 logG= -0.686258 TDE= -4.586850 logGD-logG0= -0.098703 tlogG= -0.584866 logG= -0.683569 Density= 3.498400 ETOT(band)= -1.768037 trlgG= -2.462144 logG= -0.683569 TDE= -4.585748 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098257 tlogG= -0.589979 logG= -0.688237 Density= 3.497259 ETOT(band)= -1.772490 trlgG= -2.469652 logG= -0.688237 TDE= -4.587673 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.099107 tlogG= -0.580652 logG= -0.679759 Density= 3.499130 ETOT(band)= -1.764543 trlgG= -2.456770 logG= -0.679759 TDE= -4.584771 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098098 tlogG= -0.591137 logG= -0.689235 Density= 3.496773 ETOT(band)= -1.773760 trlgG= -2.471550 logG= -0.689235 TDE= -4.588184 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.098351 tlogG= -0.590057 logG= -0.688408 Density= 3.497299 ETOT(band)= -1.772483 trlgG= -2.471196 logG= -0.688408 TDE= -4.589078 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098610 tlogG= -0.585285 logG= -0.683894 Density= 3.498239 ETOT(band)= -1.768492 trlgG= -2.461941 logG= -0.683894 TDE= -4.585090 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.097896 tlogG= -0.595265 logG= -0.693160 Density= 3.496138 ETOT(band)= -1.777082 trlgG= -2.479532 logG= -0.693160 TDE= -4.591730 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098117 tlogG= -0.590294 logG= -0.688411 Density= 3.496725 ETOT(band)= -1.773251 trlgG= -2.470519 logG= -0.688411 TDE= -4.587937 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.099800 tlogG= -0.576352 logG= -0.676152 Density= 3.500854 ETOT(band)= -1.760056 trlgG= -2.450593 logG= -0.676152 TDE= -4.583584 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098111 tlogG= -0.592763 logG= -0.690874 Density= 3.496702 ETOT(band)= -1.774834 trlgG= -2.475276 logG= -0.690874 TDE= -4.590213 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098476 tlogG= -0.587289 logG= -0.685766 Density= 3.497776 ETOT(band)= -1.770215 trlgG= -2.466095 logG= -0.685766 TDE= -4.587002 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.099376 tlogG= -0.579768 logG= -0.679144 Density= 3.499887 ETOT(band)= -1.763250 trlgG= -2.455641 logG= -0.679144 TDE= -4.584864 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.098355 tlogG= -0.588107 logG= -0.686462 Density= 3.497788 ETOT(band)= -1.770790 trlgG= -2.464759 logG= -0.686462 TDE= -4.584980 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098253 tlogG= -0.592191 logG= -0.690445 Density= 3.497016 ETOT(band)= -1.774139 trlgG= -2.474921 logG= -0.690445 TDE= -4.590539 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.099016 tlogG= -0.581117 logG= -0.680132 Density= 3.499013 ETOT(band)= -1.764981 trlgG= -2.456881 logG= -0.680132 TDE= -4.584414 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098173 tlogG= -0.590335 logG= -0.688508 Density= 3.497159 ETOT(band)= -1.772838 trlgG= -2.469496 logG= -0.688508 TDE= -4.587165 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.097916 tlogG= -0.593439 logG= -0.691356 Density= 3.496239 ETOT(band)= -1.775791 trlgG= -2.475839 logG= -0.691356 TDE= -4.589922 logGD-logG0= -0.098197 tlogG= -0.588320 logG= -0.686517 Density= 3.497010 ETOT(band)= -1.771689 trlgG= -2.466710 logG= -0.686517 TDE= -4.586251 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098841 tlogG= -0.583444 logG= -0.682285 Density= 3.498572 ETOT(band)= -1.766937 trlgG= -2.460685 logG= -0.682285 TDE= -4.585711 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.099564 tlogG= -0.577218 logG= -0.676782 Density= 3.500229 ETOT(band)= -1.761223 trlgG= -2.451635 logG= -0.676782 TDE= -4.583494 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.099193 tlogG= -0.580473 logG= -0.679666 Density= 3.499422 ETOT(band)= -1.764165 trlgG= -2.456368 logG= -0.679666 TDE= -4.584695 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.098538 tlogG= -0.585220 logG= -0.683759 Density= 3.497803 ETOT(band)= -1.768845 trlgG= -2.463023 logG= -0.683759 TDE= -4.585958 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098599 tlogG= -0.586796 logG= -0.685395 Density= 3.498041 ETOT(band)= -1.769630 trlgG= -2.465975 logG= -0.685395 TDE= -4.587466 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.098653 tlogG= -0.584732 logG= -0.683385 Density= 3.498055 ETOT(band)= -1.768253 trlgG= -2.462870 logG= -0.683385 TDE= -4.586382 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098518 tlogG= -0.586972 logG= -0.685491 Density= 3.497726 ETOT(band)= -1.770052 trlgG= -2.466466 logG= -0.685491 TDE= -4.587608 logGD-logG0= -0.098350 tlogG= -0.589577 logG= -0.687927 Density= 3.497406 ETOT(band)= -1.772054 trlgG= -2.469627 logG= -0.687927 TDE= -4.588076 logGD-logG0= -0.098407 tlogG= -0.587877 logG= -0.686284 Density= 3.497771 ETOT(band)= -1.770627 trlgG= -2.465472 logG= -0.686284 TDE= -4.585857 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098995 tlogG= -0.582814 logG= -0.681809 Density= 3.498955 ETOT(band)= -1.766138 trlgG= -2.460195 logG= -0.681809 TDE= -4.586006 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.099288 tlogG= -0.579937 logG= -0.679225 Density= 3.499591 ETOT(band)= -1.763612 trlgG= -2.456016 logG= -0.679225 TDE= -4.584920 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098051 tlogG= -0.594615 logG= -0.692666 Density= 3.496449 ETOT(band)= -1.776298 trlgG= -2.479013 logG= -0.692666 TDE= -4.591955 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098809 tlogG= -0.584416 logG= -0.683225 Density= 3.498628 ETOT(band)= -1.767513 trlgG= -2.462020 logG= -0.683225 TDE= -4.586151 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.098019 tlogG= -0.590691 logG= -0.688709 Density= 3.496577 ETOT(band)= -1.773680 trlgG= -2.470140 logG= -0.688709 TDE= -4.587142 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098055 tlogG= -0.592891 logG= -0.690947 Density= 3.496487 ETOT(band)= -1.775151 trlgG= -2.475667 logG= -0.690947 TDE= -4.590358 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 Sum of eigenvalues= -1156.00857439043 eV TrLogG= -1609.30487872887 eV Ratio to renormalize= 1.000633287495 rho-rho_expected=-0.106324964969 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 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 27) Finished k-point number 28 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 32) Finished k-point number 33 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= 104 11) Finished k-point number 12 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 34) Finished k-point number 35 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= 0.833400948092432 0.829956164145845 0.833804313939823 0.829863668697326 0.833976279932103 0.829788281064829 0.833628842066708 0.829843564388510 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.098098 tlogG= -0.591136 logG= -0.689234 Density= 3.496773 ETOT(band)= -1.773762 trlgG= -2.471552 logG= -0.689234 TDE= -4.588185 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098111 tlogG= -0.592762 logG= -0.690873 Density= 3.496702 ETOT(band)= -1.774836 trlgG= -2.475277 logG= -0.690873 TDE= -4.590214 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098273 tlogG= -0.587984 logG= -0.686257 Density= 3.497133 ETOT(band)= -1.771328 trlgG= -2.466952 logG= -0.686257 TDE= -4.586852 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098131 tlogG= -0.588604 logG= -0.686735 Density= 3.496960 ETOT(band)= -1.771960 trlgG= -2.465788 logG= -0.686735 TDE= -4.585071 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098440 tlogG= -0.585672 logG= -0.684112 Density= 3.497617 ETOT(band)= -1.769360 trlgG= -2.462780 logG= -0.684112 TDE= -4.585213 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.099193 tlogG= -0.580473 logG= -0.679665 Density= 3.499422 ETOT(band)= -1.764167 trlgG= -2.456369 logG= -0.679665 TDE= -4.584697 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.097896 tlogG= -0.595264 logG= -0.693160 Density= 3.496137 ETOT(band)= -1.777084 trlgG= -2.479533 logG= -0.693160 TDE= -4.591731 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098257 tlogG= -0.589979 logG= -0.688236 Density= 3.497258 ETOT(band)= -1.772492 trlgG= -2.469653 logG= -0.688236 TDE= -4.587674 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098238 tlogG= -0.593931 logG= -0.692169 Density= 3.496877 ETOT(band)= -1.775426 trlgG= -2.478498 logG= -0.692169 TDE= -4.592281 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.098173 tlogG= -0.590335 logG= -0.688508 Density= 3.497159 ETOT(band)= -1.772840 trlgG= -2.469498 logG= -0.688508 TDE= -4.587167 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.097982 tlogG= -0.593289 logG= -0.691271 Density= 3.496472 ETOT(band)= -1.775438 trlgG= -2.475568 logG= -0.691271 TDE= -4.589924 logGD-logG0= -0.098351 tlogG= -0.590056 logG= -0.688407 Density= 3.497299 ETOT(band)= -1.772484 trlgG= -2.471197 logG= -0.688407 TDE= -4.589080 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098599 tlogG= -0.586796 logG= -0.685394 Density= 3.498041 ETOT(band)= -1.769631 trlgG= -2.465976 logG= -0.685394 TDE= -4.587467 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098221 tlogG= -0.589843 logG= -0.688064 Density= 3.496924 ETOT(band)= -1.772727 trlgG= -2.470428 logG= -0.688064 TDE= -4.588354 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098206 tlogG= -0.592298 logG= -0.690504 Density= 3.496820 ETOT(band)= -1.774418 trlgG= -2.475299 logG= -0.690504 TDE= -4.590700 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098841 tlogG= -0.583444 logG= -0.682284 Density= 3.498571 ETOT(band)= -1.766938 trlgG= -2.460686 logG= -0.682284 TDE= -4.585713 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098476 tlogG= -0.587289 logG= -0.685765 Density= 3.497776 ETOT(band)= -1.770217 trlgG= -2.466096 logG= -0.685765 TDE= -4.587003 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.097916 tlogG= -0.593439 logG= -0.691355 Density= 3.496239 ETOT(band)= -1.775793 trlgG= -2.475840 logG= -0.691355 TDE= -4.589924 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.099107 tlogG= -0.580651 logG= -0.679758 Density= 3.499130 ETOT(band)= -1.764544 trlgG= -2.456772 logG= -0.679758 TDE= -4.584773 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098383 tlogG= -0.587762 logG= -0.686145 Density= 3.497605 ETOT(band)= -1.770739 trlgG= -2.465911 logG= -0.686145 TDE= -4.586301 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.098995 tlogG= -0.582814 logG= -0.681808 Density= 3.498955 ETOT(band)= -1.766139 trlgG= -2.460197 logG= -0.681808 TDE= -4.586007 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.098253 tlogG= -0.592191 logG= -0.690444 Density= 3.497016 ETOT(band)= -1.774141 trlgG= -2.474922 logG= -0.690444 TDE= -4.590541 logGD-logG0= -0.098216 tlogG= -0.590613 logG= -0.688829 Density= 3.496998 ETOT(band)= -1.773162 trlgG= -2.471495 logG= -0.688829 TDE= -4.588714 logGD-logG0= -0.098461 tlogG= -0.587601 logG= -0.686062 Density= 3.497823 ETOT(band)= -1.770378 trlgG= -2.465777 logG= -0.686062 TDE= -4.586425 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098197 tlogG= -0.588319 logG= -0.686516 Density= 3.497009 ETOT(band)= -1.771691 trlgG= -2.466711 logG= -0.686516 TDE= -4.586253 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098538 tlogG= -0.585220 logG= -0.683758 Density= 3.497802 ETOT(band)= -1.768846 trlgG= -2.463024 logG= -0.683758 TDE= -4.585960 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.099288 tlogG= -0.579937 logG= -0.679224 Density= 3.499590 ETOT(band)= -1.763614 trlgG= -2.456017 logG= -0.679224 TDE= -4.584922 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098693 tlogG= -0.584021 logG= -0.682713 Density= 3.498249 ETOT(band)= -1.767644 trlgG= -2.460951 logG= -0.682713 TDE= -4.585290 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098051 tlogG= -0.594615 logG= -0.692665 Density= 3.496449 ETOT(band)= -1.776300 trlgG= -2.479015 logG= -0.692665 TDE= -4.591957 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098932 tlogG= -0.581306 logG= -0.680238 Density= 3.498725 ETOT(band)= -1.765375 trlgG= -2.457291 logG= -0.680238 TDE= -4.584488 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.099376 tlogG= -0.579767 logG= -0.679143 Density= 3.499887 ETOT(band)= -1.763252 trlgG= -2.455642 logG= -0.679143 TDE= -4.584865 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098518 tlogG= -0.586972 logG= -0.685490 Density= 3.497726 ETOT(band)= -1.770054 trlgG= -2.466467 logG= -0.685490 TDE= -4.587609 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.099800 tlogG= -0.576352 logG= -0.676152 Density= 3.500854 ETOT(band)= -1.760058 trlgG= -2.450594 logG= -0.676152 TDE= -4.583586 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.099334 tlogG= -0.578045 logG= -0.677379 Density= 3.499661 ETOT(band)= -1.762314 trlgG= -2.452678 logG= -0.677379 TDE= -4.583484 logGD-logG0= -0.098018 tlogG= -0.590690 logG= -0.688708 Density= 3.496577 ETOT(band)= -1.773682 trlgG= -2.470142 logG= -0.688708 TDE= -4.587144 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.098809 tlogG= -0.584415 logG= -0.683225 Density= 3.498628 ETOT(band)= -1.767515 trlgG= -2.462021 logG= -0.683225 TDE= -4.586152 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.098388 tlogG= -0.587491 logG= -0.685878 Density= 3.497440 ETOT(band)= -1.770685 trlgG= -2.466623 logG= -0.685878 TDE= -4.587147 logGD-logG0= -0.098287 tlogG= -0.587982 logG= -0.686270 Density= 3.497245 ETOT(band)= -1.771246 trlgG= -2.466349 logG= -0.686270 TDE= -4.586326 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098055 tlogG= -0.592891 logG= -0.690946 Density= 3.496486 ETOT(band)= -1.775153 trlgG= -2.475669 logG= -0.690946 TDE= -4.590360 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098407 tlogG= -0.587876 logG= -0.686283 Density= 3.497770 ETOT(band)= -1.770629 trlgG= -2.465474 logG= -0.686283 TDE= -4.585859 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098117 tlogG= -0.590293 logG= -0.688410 Density= 3.496725 ETOT(band)= -1.773252 trlgG= -2.470520 logG= -0.688410 TDE= -4.587939 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098350 tlogG= -0.589576 logG= -0.687926 Density= 3.497406 ETOT(band)= -1.772056 trlgG= -2.469628 logG= -0.687926 TDE= -4.588077 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.098653 tlogG= -0.584731 logG= -0.683384 Density= 3.498054 ETOT(band)= -1.768255 trlgG= -2.462871 logG= -0.683384 TDE= -4.586383 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.099564 tlogG= -0.577217 logG= -0.676781 Density= 3.500229 ETOT(band)= -1.761225 trlgG= -2.451636 logG= -0.676781 TDE= -4.583495 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.099015 tlogG= -0.581116 logG= -0.680132 Density= 3.499012 ETOT(band)= -1.764982 trlgG= -2.456882 logG= -0.680132 TDE= -4.584416 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098355 tlogG= -0.588106 logG= -0.686461 Density= 3.497788 ETOT(band)= -1.770792 trlgG= -2.464761 logG= -0.686461 TDE= -4.584982 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.098609 tlogG= -0.585284 logG= -0.683894 Density= 3.498238 ETOT(band)= -1.768494 trlgG= -2.461942 logG= -0.683894 TDE= -4.585092 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098703 tlogG= -0.584865 logG= -0.683568 Density= 3.498399 ETOT(band)= -1.768039 trlgG= -2.462145 logG= -0.683568 TDE= -4.585749 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 Sum of eigenvalues= -1156.00977614201 eV TrLogG= -1609.30553810347 eV Ratio to renormalize= 1.000633397903 rho-rho_expected=-0.106343490035 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 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= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833388050259612 0.829935708123819 0.833791561088350 0.829843072852101 0.833963496346755 0.829767775164238 0.833615930190878 0.829823054714349 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.098246 tlogG= -0.589992 logG= -0.688238 Density= 3.497231 ETOT(band)= -1.772481 trlgG= -2.469645 logG= -0.688238 TDE= -4.587642 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098210 tlogG= -0.589856 logG= -0.688066 Density= 3.496897 ETOT(band)= -1.772716 trlgG= -2.470420 logG= -0.688066 TDE= -4.588322 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098087 tlogG= -0.591150 logG= -0.689236 Density= 3.496746 ETOT(band)= -1.773751 trlgG= -2.471543 logG= -0.689236 TDE= -4.588153 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098429 tlogG= -0.585685 logG= -0.684114 Density= 3.497590 ETOT(band)= -1.769348 trlgG= -2.462768 logG= -0.684114 TDE= -4.585177 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.097971 tlogG= -0.593302 logG= -0.691273 Density= 3.496445 ETOT(band)= -1.775427 trlgG= -2.475560 logG= -0.691273 TDE= -4.589892 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.098276 tlogG= -0.587996 logG= -0.686272 Density= 3.497218 ETOT(band)= -1.771234 trlgG= -2.466338 logG= -0.686272 TDE= -4.586291 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.098395 tlogG= -0.587890 logG= -0.686285 Density= 3.497743 ETOT(band)= -1.770618 trlgG= -2.465464 logG= -0.686285 TDE= -4.585826 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098100 tlogG= -0.592776 logG= -0.690876 Density= 3.496675 ETOT(band)= -1.774825 trlgG= -2.475272 logG= -0.690876 TDE= -4.590185 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.099095 tlogG= -0.580665 logG= -0.679761 Density= 3.499103 ETOT(band)= -1.764533 trlgG= -2.456763 logG= -0.679761 TDE= -4.584740 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098262 tlogG= -0.587998 logG= -0.686259 Density= 3.497106 ETOT(band)= -1.771317 trlgG= -2.466941 logG= -0.686259 TDE= -4.586817 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.098185 tlogG= -0.588333 logG= -0.686518 Density= 3.496982 ETOT(band)= -1.771680 trlgG= -2.466701 logG= -0.686518 TDE= -4.586218 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.098681 tlogG= -0.584034 logG= -0.682715 Density= 3.498222 ETOT(band)= -1.767633 trlgG= -2.460939 logG= -0.682715 TDE= -4.585254 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098829 tlogG= -0.583457 logG= -0.682287 Density= 3.498544 ETOT(band)= -1.766927 trlgG= -2.460677 logG= -0.682287 TDE= -4.585679 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098798 tlogG= -0.584429 logG= -0.683227 Density= 3.498600 ETOT(band)= -1.767503 trlgG= -2.462011 logG= -0.683227 TDE= -4.586117 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.098194 tlogG= -0.592312 logG= -0.690507 Density= 3.496792 ETOT(band)= -1.774408 trlgG= -2.475295 logG= -0.690507 TDE= -4.590672 logGD-logG0= -0.098226 tlogG= -0.593945 logG= -0.692171 Density= 3.496850 ETOT(band)= -1.775415 trlgG= -2.478495 logG= -0.692171 TDE= -4.592253 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.097885 tlogG= -0.595277 logG= -0.693162 Density= 3.496110 ETOT(band)= -1.777073 trlgG= -2.479525 logG= -0.693162 TDE= -4.591700 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.098119 tlogG= -0.588617 logG= -0.686737 Density= 3.496933 ETOT(band)= -1.771948 trlgG= -2.465780 logG= -0.686737 TDE= -4.585040 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.099276 tlogG= -0.579951 logG= -0.679227 Density= 3.499563 ETOT(band)= -1.763603 trlgG= -2.456009 logG= -0.679227 TDE= -4.584889 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.098162 tlogG= -0.590348 logG= -0.688510 Density= 3.497131 ETOT(band)= -1.772829 trlgG= -2.469490 logG= -0.688510 TDE= -4.587136 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098040 tlogG= -0.594628 logG= -0.692668 Density= 3.496422 ETOT(band)= -1.776289 trlgG= -2.479011 logG= -0.692668 TDE= -4.591929 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098527 tlogG= -0.585234 logG= -0.683760 Density= 3.497775 ETOT(band)= -1.768835 trlgG= -2.463014 logG= -0.683760 TDE= -4.585926 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098465 tlogG= -0.587302 logG= -0.685767 Density= 3.497749 ETOT(band)= -1.770206 trlgG= -2.466085 logG= -0.685767 TDE= -4.586968 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.099364 tlogG= -0.579782 logG= -0.679146 Density= 3.499859 ETOT(band)= -1.763241 trlgG= -2.455634 logG= -0.679146 TDE= -4.584832 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.099181 tlogG= -0.580487 logG= -0.679668 Density= 3.499394 ETOT(band)= -1.764156 trlgG= -2.456361 logG= -0.679668 TDE= -4.584664 logGD-logG0= -0.098372 tlogG= -0.587775 logG= -0.686147 Density= 3.497578 ETOT(band)= -1.770728 trlgG= -2.465899 logG= -0.686147 TDE= -4.586266 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.098339 tlogG= -0.589590 logG= -0.687929 Density= 3.497378 ETOT(band)= -1.772045 trlgG= -2.469620 logG= -0.687929 TDE= -4.588045 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.098344 tlogG= -0.588119 logG= -0.686463 Density= 3.497761 ETOT(band)= -1.770780 trlgG= -2.464752 logG= -0.686463 TDE= -4.584949 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098242 tlogG= -0.592205 logG= -0.690447 Density= 3.496989 ETOT(band)= -1.774130 trlgG= -2.474918 logG= -0.690447 TDE= -4.590512 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098044 tlogG= -0.592904 logG= -0.690949 Density= 3.496459 ETOT(band)= -1.775142 trlgG= -2.475664 logG= -0.690949 TDE= -4.590332 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.098507 tlogG= -0.586986 logG= -0.685493 Density= 3.497699 ETOT(band)= -1.770043 trlgG= -2.466456 logG= -0.685493 TDE= -4.587574 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098340 tlogG= -0.590070 logG= -0.688410 Density= 3.497271 ETOT(band)= -1.772474 trlgG= -2.471188 logG= -0.688410 TDE= -4.589046 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098450 tlogG= -0.587614 logG= -0.686064 Density= 3.497796 ETOT(band)= -1.770367 trlgG= -2.465766 logG= -0.686064 TDE= -4.586390 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098983 tlogG= -0.582828 logG= -0.681811 Density= 3.498928 ETOT(band)= -1.766129 trlgG= -2.460186 logG= -0.681811 TDE= -4.585972 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.098921 tlogG= -0.581320 logG= -0.680240 Density= 3.498698 ETOT(band)= -1.765364 trlgG= -2.457278 logG= -0.680240 TDE= -4.584450 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.098587 tlogG= -0.586809 logG= -0.685396 Density= 3.498013 ETOT(band)= -1.769621 trlgG= -2.465965 logG= -0.685396 TDE= -4.587432 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.098007 tlogG= -0.590703 logG= -0.688710 Density= 3.496550 ETOT(band)= -1.773670 trlgG= -2.470134 logG= -0.688710 TDE= -4.587113 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098204 tlogG= -0.590627 logG= -0.688831 Density= 3.496971 ETOT(band)= -1.773151 trlgG= -2.471486 logG= -0.688831 TDE= -4.588681 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098641 tlogG= -0.584745 logG= -0.683387 Density= 3.498027 ETOT(band)= -1.768244 trlgG= -2.462861 logG= -0.683387 TDE= -4.586348 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.099553 tlogG= -0.577232 logG= -0.676784 Density= 3.500201 ETOT(band)= -1.761214 trlgG= -2.451628 logG= -0.676784 TDE= -4.583462 logGD-logG0= -0.099788 tlogG= -0.576366 logG= -0.676155 Density= 3.500826 ETOT(band)= -1.760048 trlgG= -2.450587 logG= -0.676155 TDE= -4.583553 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.097905 tlogG= -0.593452 logG= -0.691357 Density= 3.496212 ETOT(band)= -1.775782 trlgG= -2.475832 logG= -0.691357 TDE= -4.589893 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098692 tlogG= -0.584879 logG= -0.683571 Density= 3.498372 ETOT(band)= -1.768028 trlgG= -2.462135 logG= -0.683571 TDE= -4.585715 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098106 tlogG= -0.590306 logG= -0.688412 Density= 3.496698 ETOT(band)= -1.773241 trlgG= -2.470512 logG= -0.688412 TDE= -4.587908 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.099323 tlogG= -0.578059 logG= -0.677382 Density= 3.499634 ETOT(band)= -1.762303 trlgG= -2.452665 logG= -0.677382 TDE= -4.583447 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.098376 tlogG= -0.587504 logG= -0.685881 Density= 3.497412 ETOT(band)= -1.770674 trlgG= -2.466612 logG= -0.685881 TDE= -4.587112 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.099004 tlogG= -0.581130 logG= -0.680134 Density= 3.498985 ETOT(band)= -1.764971 trlgG= -2.456869 logG= -0.680134 TDE= -4.584378 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.098598 tlogG= -0.585298 logG= -0.683896 Density= 3.498211 ETOT(band)= -1.768482 trlgG= -2.461930 logG= -0.683896 TDE= -4.585056 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 Sum of eigenvalues= -1156.00257294666 eV TrLogG= -1609.28539773170 eV Ratio to renormalize= 1.000641175286 rho-rho_expected=-0.107648426590 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 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 39) Finished k-point number 40 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833398512740320 0.829953386873980 0.833801813054752 0.829860908118483 0.833973866087749 0.829785490205559 0.833626412522676 0.829840775043393 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.098096 tlogG= -0.591134 logG= -0.689230 Density= 3.496770 ETOT(band)= -1.773750 trlgG= -2.471536 logG= -0.689230 TDE= -4.588171 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098475 tlogG= -0.587286 logG= -0.685761 Density= 3.497773 ETOT(band)= -1.770204 trlgG= -2.466080 logG= -0.685761 TDE= -4.586988 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.097894 tlogG= -0.595262 logG= -0.693156 Density= 3.496134 ETOT(band)= -1.777072 trlgG= -2.479517 logG= -0.693156 TDE= -4.591716 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.098116 tlogG= -0.590291 logG= -0.688406 Density= 3.496721 ETOT(band)= -1.773240 trlgG= -2.470504 logG= -0.688406 TDE= -4.587924 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.099105 tlogG= -0.580649 logG= -0.679754 Density= 3.499127 ETOT(band)= -1.764532 trlgG= -2.456756 logG= -0.679754 TDE= -4.584758 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098271 tlogG= -0.587982 logG= -0.686253 Density= 3.497130 ETOT(band)= -1.771316 trlgG= -2.466935 logG= -0.686253 TDE= -4.586836 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098172 tlogG= -0.590332 logG= -0.688504 Density= 3.497155 ETOT(band)= -1.772828 trlgG= -2.469482 logG= -0.688504 TDE= -4.587152 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098204 tlogG= -0.592296 logG= -0.690500 Density= 3.496817 ETOT(band)= -1.774406 trlgG= -2.475284 logG= -0.690500 TDE= -4.590686 logGD-logG0= -0.097981 tlogG= -0.593287 logG= -0.691267 Density= 3.496469 ETOT(band)= -1.775426 trlgG= -2.475552 logG= -0.691267 TDE= -4.589909 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098054 tlogG= -0.592889 logG= -0.690942 Density= 3.496483 ETOT(band)= -1.775140 trlgG= -2.475653 logG= -0.690942 TDE= -4.590346 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.098049 tlogG= -0.594612 logG= -0.692662 Density= 3.496446 ETOT(band)= -1.776288 trlgG= -2.478999 logG= -0.692662 TDE= -4.591943 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098382 tlogG= -0.587759 logG= -0.686141 Density= 3.497602 ETOT(band)= -1.770727 trlgG= -2.465894 logG= -0.686141 TDE= -4.586286 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.098839 tlogG= -0.583441 logG= -0.682280 Density= 3.498568 ETOT(band)= -1.766926 trlgG= -2.460670 logG= -0.682280 TDE= -4.585698 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098129 tlogG= -0.588602 logG= -0.686731 Density= 3.496957 ETOT(band)= -1.771948 trlgG= -2.465772 logG= -0.686731 TDE= -4.585057 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098286 tlogG= -0.587980 logG= -0.686266 Density= 3.497242 ETOT(band)= -1.771233 trlgG= -2.466332 logG= -0.686266 TDE= -4.586311 logGD-logG0= -0.098236 tlogG= -0.593928 logG= -0.692165 Density= 3.496874 ETOT(band)= -1.775414 trlgG= -2.478483 logG= -0.692165 TDE= -4.592267 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.099014 tlogG= -0.581114 logG= -0.680128 Density= 3.499009 ETOT(band)= -1.764970 trlgG= -2.456866 logG= -0.680128 TDE= -4.584400 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098439 tlogG= -0.585669 logG= -0.684108 Density= 3.497614 ETOT(band)= -1.769347 trlgG= -2.462763 logG= -0.684108 TDE= -4.585197 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098460 tlogG= -0.587598 logG= -0.686059 Density= 3.497820 ETOT(band)= -1.770365 trlgG= -2.465761 logG= -0.686059 TDE= -4.586410 logGD-logG0= -0.098195 tlogG= -0.588317 logG= -0.686512 Density= 3.497006 ETOT(band)= -1.771678 trlgG= -2.466695 logG= -0.686512 TDE= -4.586237 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098220 tlogG= -0.589840 logG= -0.688060 Density= 3.496921 ETOT(band)= -1.772715 trlgG= -2.470412 logG= -0.688060 TDE= -4.588339 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098691 tlogG= -0.584018 logG= -0.682709 Density= 3.498246 ETOT(band)= -1.767631 trlgG= -2.460934 logG= -0.682709 TDE= -4.585275 logGD-logG0= -0.099191 tlogG= -0.580470 logG= -0.679662 Density= 3.499418 ETOT(band)= -1.764155 trlgG= -2.456353 logG= -0.679662 TDE= -4.584682 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.098993 tlogG= -0.582811 logG= -0.681804 Density= 3.498952 ETOT(band)= -1.766127 trlgG= -2.460180 logG= -0.681804 TDE= -4.585992 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.099563 tlogG= -0.577215 logG= -0.676778 Density= 3.500225 ETOT(band)= -1.761213 trlgG= -2.451620 logG= -0.676778 TDE= -4.583481 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.098386 tlogG= -0.587488 logG= -0.685874 Density= 3.497436 ETOT(band)= -1.770673 trlgG= -2.466606 logG= -0.685874 TDE= -4.587132 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098256 tlogG= -0.589976 logG= -0.688232 Density= 3.497255 ETOT(band)= -1.772480 trlgG= -2.469637 logG= -0.688232 TDE= -4.587659 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098931 tlogG= -0.581303 logG= -0.680234 Density= 3.498722 ETOT(band)= -1.765363 trlgG= -2.457275 logG= -0.680234 TDE= -4.584473 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098252 tlogG= -0.592189 logG= -0.690441 Density= 3.497013 ETOT(band)= -1.774129 trlgG= -2.474907 logG= -0.690441 TDE= -4.590526 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098349 tlogG= -0.590054 logG= -0.688403 Density= 3.497296 ETOT(band)= -1.772472 trlgG= -2.471181 logG= -0.688403 TDE= -4.589065 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098808 tlogG= -0.584413 logG= -0.683221 Density= 3.498624 ETOT(band)= -1.767502 trlgG= -2.462005 logG= -0.683221 TDE= -4.586137 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.098537 tlogG= -0.585217 logG= -0.683754 Density= 3.497799 ETOT(band)= -1.768834 trlgG= -2.463008 logG= -0.683754 TDE= -4.585945 logGD-logG0= -0.099375 tlogG= -0.579765 logG= -0.679139 Density= 3.499884 ETOT(band)= -1.763239 trlgG= -2.455626 logG= -0.679139 TDE= -4.584850 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098597 tlogG= -0.586793 logG= -0.685390 Density= 3.498037 ETOT(band)= -1.769619 trlgG= -2.465960 logG= -0.685390 TDE= -4.587452 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098608 tlogG= -0.585282 logG= -0.683890 Density= 3.498235 ETOT(band)= -1.768481 trlgG= -2.461925 logG= -0.683890 TDE= -4.585077 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098517 tlogG= -0.586969 logG= -0.685486 Density= 3.497723 ETOT(band)= -1.770042 trlgG= -2.466451 logG= -0.685486 TDE= -4.587594 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098017 tlogG= -0.590688 logG= -0.688704 Density= 3.496574 ETOT(band)= -1.773670 trlgG= -2.470125 logG= -0.688704 TDE= -4.587129 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098110 tlogG= -0.592760 logG= -0.690869 Density= 3.496699 ETOT(band)= -1.774823 trlgG= -2.475261 logG= -0.690869 TDE= -4.590200 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.099286 tlogG= -0.579934 logG= -0.679220 Density= 3.499587 ETOT(band)= -1.763601 trlgG= -2.456001 logG= -0.679220 TDE= -4.584907 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.099798 tlogG= -0.576349 logG= -0.676148 Density= 3.500851 ETOT(band)= -1.760045 trlgG= -2.450579 logG= -0.676148 TDE= -4.583571 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098651 tlogG= -0.584729 logG= -0.683380 Density= 3.498051 ETOT(band)= -1.768243 trlgG= -2.462855 logG= -0.683380 TDE= -4.586368 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098354 tlogG= -0.588104 logG= -0.686457 Density= 3.497785 ETOT(band)= -1.770780 trlgG= -2.464745 logG= -0.686457 TDE= -4.584967 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098405 tlogG= -0.587874 logG= -0.686279 Density= 3.497767 ETOT(band)= -1.770617 trlgG= -2.465458 logG= -0.686279 TDE= -4.585844 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.097915 tlogG= -0.593436 logG= -0.691351 Density= 3.496236 ETOT(band)= -1.775780 trlgG= -2.475824 logG= -0.691351 TDE= -4.589909 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098702 tlogG= -0.584863 logG= -0.683565 Density= 3.498396 ETOT(band)= -1.768027 trlgG= -2.462129 logG= -0.683565 TDE= -4.585734 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.099333 tlogG= -0.578042 logG= -0.677375 Density= 3.499658 ETOT(band)= -1.762302 trlgG= -2.452661 logG= -0.677375 TDE= -4.583469 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.098214 tlogG= -0.590611 logG= -0.688825 Density= 3.496995 ETOT(band)= -1.773150 trlgG= -2.471479 logG= -0.688825 TDE= -4.588699 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098348 tlogG= -0.589574 logG= -0.687922 Density= 3.497402 ETOT(band)= -1.772044 trlgG= -2.469612 logG= -0.687922 TDE= -4.588062 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 Sum of eigenvalues= -1156.00169006732 eV TrLogG= -1609.29327590800 eV Ratio to renormalize= 1.000634320393 rho-rho_expected=-0.106498271954 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 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 11) Finished k-point number 12 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 32) Finished k-point number 33 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= 105 45) Finished k-point number 46 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833396446688683 0.829950671660667 0.833799702289671 0.829858217996400 0.833971817040018 0.829782763170908 0.833624346522459 0.829838045654216 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.098473 tlogG= -0.587290 logG= -0.685763 Density= 3.497769 ETOT(band)= -1.770201 trlgG= -2.466078 logG= -0.685763 TDE= -4.586981 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098348 tlogG= -0.590058 logG= -0.688406 Density= 3.497291 ETOT(band)= -1.772468 trlgG= -2.471180 logG= -0.688406 TDE= -4.589058 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098235 tlogG= -0.593933 logG= -0.692167 Density= 3.496870 ETOT(band)= -1.775410 trlgG= -2.478482 logG= -0.692167 TDE= -4.592261 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.099190 tlogG= -0.580474 logG= -0.679664 Density= 3.499414 ETOT(band)= -1.764151 trlgG= -2.456352 logG= -0.679664 TDE= -4.584675 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.098929 tlogG= -0.581307 logG= -0.680236 Density= 3.498718 ETOT(band)= -1.765359 trlgG= -2.457272 logG= -0.680236 TDE= -4.584465 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098437 tlogG= -0.585673 logG= -0.684110 Density= 3.497610 ETOT(band)= -1.769344 trlgG= -2.462761 logG= -0.684110 TDE= -4.585190 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098218 tlogG= -0.589844 logG= -0.688062 Density= 3.496917 ETOT(band)= -1.772711 trlgG= -2.470411 logG= -0.688062 TDE= -4.588332 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098114 tlogG= -0.590295 logG= -0.688409 Density= 3.496717 ETOT(band)= -1.773236 trlgG= -2.470503 logG= -0.688409 TDE= -4.587917 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.097893 tlogG= -0.595266 logG= -0.693158 Density= 3.496130 ETOT(band)= -1.777069 trlgG= -2.479516 logG= -0.693158 TDE= -4.591709 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.098700 tlogG= -0.584867 logG= -0.683567 Density= 3.498392 ETOT(band)= -1.768023 trlgG= -2.462127 logG= -0.683567 TDE= -4.585727 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098285 tlogG= -0.587984 logG= -0.686268 Density= 3.497238 ETOT(band)= -1.771230 trlgG= -2.466331 logG= -0.686268 TDE= -4.586303 33) Finished k-point 34 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098270 tlogG= -0.587986 logG= -0.686256 Density= 3.497126 ETOT(band)= -1.771312 trlgG= -2.466933 logG= -0.686256 TDE= -4.586829 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098254 tlogG= -0.589980 logG= -0.688235 Density= 3.497251 ETOT(band)= -1.772476 trlgG= -2.469636 logG= -0.688235 TDE= -4.587652 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098535 tlogG= -0.585221 logG= -0.683757 Density= 3.497795 ETOT(band)= -1.768830 trlgG= -2.463006 logG= -0.683757 TDE= -4.585938 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.098203 tlogG= -0.592300 logG= -0.690503 Density= 3.496812 ETOT(band)= -1.774403 trlgG= -2.475283 logG= -0.690503 TDE= -4.590680 logGD-logG0= -0.098690 tlogG= -0.584022 logG= -0.682712 Density= 3.498242 ETOT(band)= -1.767628 trlgG= -2.460932 logG= -0.682712 TDE= -4.585267 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098380 tlogG= -0.587763 logG= -0.686143 Density= 3.497598 ETOT(band)= -1.770723 trlgG= -2.465892 logG= -0.686143 TDE= -4.586278 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.097979 tlogG= -0.593291 logG= -0.691270 Density= 3.496465 ETOT(band)= -1.775422 trlgG= -2.475551 logG= -0.691270 TDE= -4.589902 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.098607 tlogG= -0.585286 logG= -0.683892 Density= 3.498231 ETOT(band)= -1.768477 trlgG= -2.461924 logG= -0.683892 TDE= -4.585069 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.098128 tlogG= -0.588605 logG= -0.686733 Density= 3.496953 ETOT(band)= -1.771944 trlgG= -2.465771 logG= -0.686733 TDE= -4.585050 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.099104 tlogG= -0.580653 logG= -0.679757 Density= 3.499123 ETOT(band)= -1.764528 trlgG= -2.456754 logG= -0.679757 TDE= -4.584751 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098250 tlogG= -0.592193 logG= -0.690443 Density= 3.497009 ETOT(band)= -1.774125 trlgG= -2.474906 logG= -0.690443 TDE= -4.590520 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.099331 tlogG= -0.578046 logG= -0.677377 Density= 3.499654 ETOT(band)= -1.762298 trlgG= -2.452659 logG= -0.677377 TDE= -4.583461 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.097913 tlogG= -0.593440 logG= -0.691354 Density= 3.496231 ETOT(band)= -1.775777 trlgG= -2.475823 logG= -0.691354 TDE= -4.589902 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.098170 tlogG= -0.590336 logG= -0.688506 Density= 3.497151 ETOT(band)= -1.772824 trlgG= -2.469480 logG= -0.688506 TDE= -4.587145 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098095 tlogG= -0.591138 logG= -0.689233 Density= 3.496766 ETOT(band)= -1.773746 trlgG= -2.471534 logG= -0.689233 TDE= -4.588163 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.099797 tlogG= -0.576353 logG= -0.676150 Density= 3.500847 ETOT(band)= -1.760042 trlgG= -2.450577 logG= -0.676150 TDE= -4.583564 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098838 tlogG= -0.583445 logG= -0.682283 Density= 3.498564 ETOT(band)= -1.766922 trlgG= -2.460668 logG= -0.682283 TDE= -4.585691 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.098015 tlogG= -0.590692 logG= -0.688707 Density= 3.496570 ETOT(band)= -1.773666 trlgG= -2.470124 logG= -0.688707 TDE= -4.587122 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098385 tlogG= -0.587492 logG= -0.685877 Density= 3.497432 ETOT(band)= -1.770669 trlgG= -2.466605 logG= -0.685877 TDE= -4.587125 29) Finished k-point 30 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098992 tlogG= -0.582815 logG= -0.681807 Density= 3.498948 ETOT(band)= -1.766124 trlgG= -2.460179 logG= -0.681807 TDE= -4.585985 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.098052 tlogG= -0.592893 logG= -0.690945 Density= 3.496479 ETOT(band)= -1.775137 trlgG= -2.475653 logG= -0.690945 TDE= -4.590339 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.098459 tlogG= -0.587602 logG= -0.686061 Density= 3.497816 ETOT(band)= -1.770362 trlgG= -2.465759 logG= -0.686061 TDE= -4.586403 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098347 tlogG= -0.589578 logG= -0.687925 Density= 3.497398 ETOT(band)= -1.772040 trlgG= -2.469611 logG= -0.687925 TDE= -4.588055 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.098806 tlogG= -0.584417 logG= -0.683223 Density= 3.498620 ETOT(band)= -1.767499 trlgG= -2.462003 logG= -0.683223 TDE= -4.586130 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.098352 tlogG= -0.588108 logG= -0.686460 Density= 3.497781 ETOT(band)= -1.770776 trlgG= -2.464743 logG= -0.686460 TDE= -4.584960 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.099561 tlogG= -0.577219 logG= -0.676780 Density= 3.500221 ETOT(band)= -1.761209 trlgG= -2.451619 logG= -0.676780 TDE= -4.583474 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.098596 tlogG= -0.586797 logG= -0.685393 Density= 3.498033 ETOT(band)= -1.769615 trlgG= -2.465958 logG= -0.685393 TDE= -4.587445 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098048 tlogG= -0.594616 logG= -0.692664 Density= 3.496441 ETOT(band)= -1.776284 trlgG= -2.478999 logG= -0.692664 TDE= -4.591936 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.099285 tlogG= -0.579938 logG= -0.679223 Density= 3.499583 ETOT(band)= -1.763598 trlgG= -2.456000 logG= -0.679223 TDE= -4.584900 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.099012 tlogG= -0.581118 logG= -0.680130 Density= 3.499005 ETOT(band)= -1.764966 trlgG= -2.456864 logG= -0.680130 TDE= -4.584392 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098650 tlogG= -0.584733 logG= -0.683383 Density= 3.498047 ETOT(band)= -1.768239 trlgG= -2.462853 logG= -0.683383 TDE= -4.586361 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098213 tlogG= -0.590615 logG= -0.688827 Density= 3.496991 ETOT(band)= -1.773146 trlgG= -2.471477 logG= -0.688827 TDE= -4.588692 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098108 tlogG= -0.592764 logG= -0.690872 Density= 3.496695 ETOT(band)= -1.774820 trlgG= -2.475261 logG= -0.690872 TDE= -4.590193 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098194 tlogG= -0.588321 logG= -0.686515 Density= 3.497002 ETOT(band)= -1.771675 trlgG= -2.466693 logG= -0.686515 TDE= -4.586230 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098515 tlogG= -0.586973 logG= -0.685489 Density= 3.497718 ETOT(band)= -1.770038 trlgG= -2.466449 logG= -0.685489 TDE= -4.587587 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.099373 tlogG= -0.579769 logG= -0.679142 Density= 3.499879 ETOT(band)= -1.763236 trlgG= -2.455625 logG= -0.679142 TDE= -4.584843 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098404 tlogG= -0.587878 logG= -0.686282 Density= 3.497763 ETOT(band)= -1.770613 trlgG= -2.465456 logG= -0.686282 TDE= -4.585837 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 Sum of eigenvalues= -1155.99934876148 eV TrLogG= -1609.29019590229 eV Ratio to renormalize= 1.000635490627 rho-rho_expected=-0.106694621973 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 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 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 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= 105 11) Finished k-point number 12 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.833694479381727 0.830480611222580 0.834105710859198 0.830388935816160 0.834277393039512 0.830312169146572 0.833935383247659 0.830366465312600 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.098179 tlogG= -0.595066 logG= -0.693245 Density= 3.496822 ETOT(band)= -1.777406 trlgG= -2.479903 logG= -0.693245 TDE= -4.592565 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098763 tlogG= -0.587092 logG= -0.685855 Density= 3.498460 ETOT(band)= -1.770547 trlgG= -2.466567 logG= -0.685855 TDE= -4.587934 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.098266 tlogG= -0.593095 logG= -0.691361 Density= 3.497155 ETOT(band)= -1.775768 trlgG= -2.475941 logG= -0.691361 TDE= -4.590755 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.099304 tlogG= -0.580916 logG= -0.680220 Density= 3.499699 ETOT(band)= -1.765313 trlgG= -2.457415 logG= -0.680220 TDE= -4.585411 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.099128 tlogG= -0.583242 logG= -0.682370 Density= 3.499258 ETOT(band)= -1.767266 trlgG= -2.461115 logG= -0.682370 TDE= -4.586607 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.099624 tlogG= -0.577837 logG= -0.677461 Density= 3.500354 ETOT(band)= -1.762637 trlgG= -2.453195 logG= -0.677461 TDE= -4.584475 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.098724 tlogG= -0.585480 logG= -0.684203 Density= 3.498295 ETOT(band)= -1.769698 trlgG= -2.463276 logG= -0.684203 TDE= -4.586162 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.098543 tlogG= -0.589786 logG= -0.688329 Density= 3.497941 ETOT(band)= -1.772825 trlgG= -2.470055 logG= -0.688329 TDE= -4.588531 logGD-logG0= -0.098490 tlogG= -0.592095 logG= -0.690585 Density= 3.497506 ETOT(band)= -1.774738 trlgG= -2.475578 logG= -0.690585 TDE= -4.591449 logGD-logG0= -0.098540 tlogG= -0.591987 logG= -0.690527 Density= 3.497705 ETOT(band)= -1.774459 trlgG= -2.475207 logG= -0.690527 TDE= -4.591295 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098504 tlogG= -0.589644 logG= -0.688148 Density= 3.497604 ETOT(band)= -1.773056 trlgG= -2.470837 logG= -0.688148 TDE= -4.589224 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.098669 tlogG= -0.587569 logG= -0.686238 Density= 3.498288 ETOT(band)= -1.771074 trlgG= -2.466380 logG= -0.686238 TDE= -4.587226 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.098381 tlogG= -0.590942 logG= -0.689324 Density= 3.497455 ETOT(band)= -1.774092 trlgG= -2.471951 logG= -0.689324 TDE= -4.589042 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098524 tlogG= -0.593723 logG= -0.692247 Density= 3.497569 ETOT(band)= -1.775737 trlgG= -2.478761 logG= -0.692247 TDE= -4.593021 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.098748 tlogG= -0.587407 logG= -0.686155 Density= 3.498508 ETOT(band)= -1.770710 trlgG= -2.466241 logG= -0.686155 TDE= -4.587346 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.099577 tlogG= -0.579727 logG= -0.679304 Density= 3.500280 ETOT(band)= -1.763936 trlgG= -2.456424 logG= -0.679304 TDE= -4.585802 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.098938 tlogG= -0.584530 logG= -0.683468 Density= 3.498736 ETOT(band)= -1.768585 trlgG= -2.463332 logG= -0.683468 TDE= -4.587307 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.099219 tlogG= -0.581105 logG= -0.680324 Density= 3.499411 ETOT(band)= -1.765706 trlgG= -2.457823 logG= -0.680324 TDE= -4.585483 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.098339 tlogG= -0.592692 logG= -0.691031 Density= 3.497168 ETOT(band)= -1.775478 trlgG= -2.475970 logG= -0.691031 TDE= -4.591124 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098555 tlogG= -0.587789 logG= -0.686344 Density= 3.497811 ETOT(band)= -1.771661 trlgG= -2.467418 logG= -0.686344 TDE= -4.587774 36) Finished k-point 37 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.099395 tlogG= -0.580446 logG= -0.679841 Density= 3.499817 ETOT(band)= -1.764872 trlgG= -2.457187 logG= -0.679841 TDE= -4.585656 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.098300 tlogG= -0.590500 logG= -0.688800 Density= 3.497254 ETOT(band)= -1.774019 trlgG= -2.470517 logG= -0.688800 TDE= -4.587970 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098979 tlogG= -0.583823 logG= -0.682802 Density= 3.498935 ETOT(band)= -1.767975 trlgG= -2.461460 logG= -0.682802 TDE= -4.586260 21) Finished k-point 22 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.098412 tlogG= -0.588417 logG= -0.686829 Density= 3.497635 ETOT(band)= -1.772303 trlgG= -2.466182 logG= -0.686829 TDE= -4.585912 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098636 tlogG= -0.589379 logG= -0.688015 Density= 3.498091 ETOT(band)= -1.772383 trlgG= -2.470030 logG= -0.688015 TDE= -4.588941 logGD-logG0= -0.099284 tlogG= -0.582607 logG= -0.681890 Density= 3.499645 ETOT(band)= -1.766462 trlgG= -2.460650 logG= -0.681890 TDE= -4.586932 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.098396 tlogG= -0.592564 logG= -0.690960 Density= 3.497386 ETOT(band)= -1.775161 trlgG= -2.475593 logG= -0.690960 TDE= -4.590993 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098685 tlogG= -0.587687 logG= -0.686372 Density= 3.498457 ETOT(band)= -1.770967 trlgG= -2.465898 logG= -0.686372 TDE= -4.586745 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.098672 tlogG= -0.587293 logG= -0.685965 Density= 3.498121 ETOT(band)= -1.771016 trlgG= -2.467092 logG= -0.685965 TDE= -4.588076 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098886 tlogG= -0.586594 logG= -0.685480 Density= 3.498729 ETOT(band)= -1.769956 trlgG= -2.466442 logG= -0.685480 TDE= -4.588400 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.098640 tlogG= -0.587921 logG= -0.686562 Density= 3.498467 ETOT(band)= -1.771136 trlgG= -2.465180 logG= -0.686562 TDE= -4.585845 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098571 tlogG= -0.587789 logG= -0.686360 Density= 3.497925 ETOT(band)= -1.771580 trlgG= -2.466821 logG= -0.686360 TDE= -4.587253 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.098336 tlogG= -0.594412 logG= -0.692748 Density= 3.497136 ETOT(band)= -1.776619 trlgG= -2.479301 logG= -0.692748 TDE= -4.592713 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098199 tlogG= -0.593244 logG= -0.691443 Density= 3.496919 ETOT(band)= -1.776122 trlgG= -2.476214 logG= -0.691443 TDE= -4.590756 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.098500 tlogG= -0.590415 logG= -0.688915 Density= 3.497682 ETOT(band)= -1.773489 trlgG= -2.471920 logG= -0.688915 TDE= -4.589602 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098399 tlogG= -0.590099 logG= -0.688499 Density= 3.497402 ETOT(band)= -1.773586 trlgG= -2.470914 logG= -0.688499 TDE= -4.588788 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.098457 tlogG= -0.590146 logG= -0.688604 Density= 3.497839 ETOT(band)= -1.773178 trlgG= -2.469876 logG= -0.688604 TDE= -4.587995 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.099483 tlogG= -0.580268 logG= -0.679751 Density= 3.500111 ETOT(band)= -1.764495 trlgG= -2.456785 logG= -0.679751 TDE= -4.585580 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.098991 tlogG= -0.584670 logG= -0.683661 Density= 3.499083 ETOT(band)= -1.768374 trlgG= -2.462602 logG= -0.683661 TDE= -4.586663 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.099856 tlogG= -0.577005 logG= -0.676861 Density= 3.500924 ETOT(band)= -1.761545 trlgG= -2.452051 logG= -0.676861 TDE= -4.584388 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.100094 tlogG= -0.576134 logG= -0.676228 Density= 3.501552 ETOT(band)= -1.760373 trlgG= -2.450986 logG= -0.676228 TDE= -4.584461 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.098637 tlogG= -0.589853 logG= -0.688490 Density= 3.497987 ETOT(band)= -1.772805 trlgG= -2.471620 logG= -0.688490 TDE= -4.589972 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098478 tlogG= -0.588129 logG= -0.686607 Density= 3.497685 ETOT(band)= -1.772030 trlgG= -2.467172 logG= -0.686607 TDE= -4.587165 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.098822 tlogG= -0.585024 logG= -0.683846 Density= 3.498482 ETOT(band)= -1.769181 trlgG= -2.463475 logG= -0.683846 TDE= -4.586868 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.099098 tlogG= -0.584215 logG= -0.683313 Density= 3.499315 ETOT(band)= -1.767843 trlgG= -2.462486 logG= -0.683313 TDE= -4.587080 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.098896 tlogG= -0.585093 logG= -0.683990 Density= 3.498920 ETOT(band)= -1.768833 trlgG= -2.462439 logG= -0.683990 TDE= -4.586041 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.099668 tlogG= -0.579557 logG= -0.679225 Density= 3.500579 ETOT(band)= -1.763574 trlgG= -2.456051 logG= -0.679225 TDE= -4.585747 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.098803 tlogG= -0.586770 logG= -0.685573 Density= 3.498410 ETOT(band)= -1.770379 trlgG= -2.466930 logG= -0.685573 TDE= -4.588539 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.22459029455 eV TrLogG= -1609.93834815668 eV Ratio to renormalize= 1.000437608224 rho-rho_expected=-0.073486023582 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 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= 105 35) Finished k-point number 36 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834181977354531 0.831375661494466 0.834602906100774 0.831286932524657 0.834770805044269 0.831207930212388 0.834435274181880 0.831263417379100 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.098913 tlogG= -0.590937 logG= -0.689850 Density= 3.498528 ETOT(band)= -1.774537 trlgG= -2.474492 logG= -0.689850 TDE= -4.591919 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098880 tlogG= -0.589014 logG= -0.687894 Density= 3.498854 ETOT(band)= -1.773004 trlgG= -2.468923 logG= -0.687894 TDE= -4.588566 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100009 tlogG= -0.578558 logG= -0.678567 Density= 3.501309 ETOT(band)= -1.763733 trlgG= -2.455503 logG= -0.678567 TDE= -4.586444 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.098601 tlogG= -0.593915 logG= -0.692516 Density= 3.497843 ETOT(band)= -1.777210 trlgG= -2.478924 logG= -0.692516 TDE= -4.593134 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.098965 tlogG= -0.590828 logG= -0.689793 Density= 3.498733 ETOT(band)= -1.774254 trlgG= -2.474133 logG= -0.689793 TDE= -4.591780 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098966 tlogG= -0.588647 logG= -0.687613 Density= 3.498958 ETOT(band)= -1.772645 trlgG= -2.469158 logG= -0.687613 TDE= -4.589166 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098687 tlogG= -0.591953 logG= -0.690640 Density= 3.498172 ETOT(band)= -1.775581 trlgG= -2.474969 logG= -0.690640 TDE= -4.591320 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=143 logGD-logG0= -0.098923 tlogG= -0.588498 logG= -0.687421 Density= 3.498614 ETOT(band)= -1.772873 trlgG= -2.469973 logG= -0.687421 TDE= -4.589897 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.099646 tlogG= -0.579954 logG= -0.679600 Density= 3.500434 ETOT(band)= -1.765518 trlgG= -2.457085 logG= -0.679600 TDE= -4.586291 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.098923 tlogG= -0.589267 logG= -0.688190 Density= 3.498701 ETOT(band)= -1.773299 trlgG= -2.471064 logG= -0.688190 TDE= -4.590289 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.098802 tlogG= -0.589802 logG= -0.688604 Density= 3.498472 ETOT(band)= -1.773909 trlgG= -2.471047 logG= -0.688604 TDE= -4.589673 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100103 tlogG= -0.578387 logG= -0.678490 Density= 3.501614 ETOT(band)= -1.763368 trlgG= -2.455129 logG= -0.678490 TDE= -4.586391 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.098829 tlogG= -0.587292 logG= -0.686121 Density= 3.498638 ETOT(band)= -1.772143 trlgG= -2.465299 logG= -0.686121 TDE= -4.586542 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.099093 tlogG= -0.586431 logG= -0.685524 Density= 3.499306 ETOT(band)= -1.770895 trlgG= -2.465566 logG= -0.685524 TDE= -4.587943 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.099556 tlogG= -0.582088 logG= -0.681643 Density= 3.500282 ETOT(band)= -1.767074 trlgG= -2.460241 logG= -0.681643 TDE= -4.587282 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098992 tlogG= -0.586652 logG= -0.685643 Density= 3.498938 ETOT(band)= -1.771404 trlgG= -2.466015 logG= -0.685643 TDE= -4.587977 logGD-logG0= -0.098760 tlogG= -0.591543 logG= -0.690303 Density= 3.498184 ETOT(band)= -1.775288 trlgG= -2.474929 logG= -0.690303 TDE= -4.591626 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.099227 tlogG= -0.585617 logG= -0.684844 Density= 3.499429 ETOT(band)= -1.770188 trlgG= -2.466092 logG= -0.684844 TDE= -4.589248 logGD-logG0= -0.098950 tlogG= -0.592555 logG= -0.691505 Density= 3.498603 ETOT(band)= -1.775521 trlgG= -2.477630 logG= -0.691505 TDE= -4.593461 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.098973 tlogG= -0.586650 logG= -0.685623 Density= 3.498815 ETOT(band)= -1.771489 trlgG= -2.466595 logG= -0.685623 TDE= -4.588479 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.098759 tlogG= -0.593254 logG= -0.692013 Density= 3.498161 ETOT(band)= -1.776414 trlgG= -2.478230 logG= -0.692013 TDE= -4.593198 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.099405 tlogG= -0.582677 logG= -0.682081 Density= 3.499957 ETOT(band)= -1.767790 trlgG= -2.460714 logG= -0.682081 TDE= -4.587055 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.099188 tlogG= -0.585946 logG= -0.685134 Density= 3.499481 ETOT(band)= -1.770361 trlgG= -2.465742 logG= -0.685134 TDE= -4.588649 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.099094 tlogG= -0.586149 logG= -0.685243 Density= 3.499135 ETOT(band)= -1.770834 trlgG= -2.466266 logG= -0.685243 TDE= -4.588787 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.099323 tlogG= -0.583957 logG= -0.683280 Density= 3.499938 ETOT(band)= -1.768659 trlgG= -2.461689 logG= -0.683280 TDE= -4.586817 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.099061 tlogG= -0.588696 logG= -0.687757 Density= 3.499012 ETOT(band)= -1.772604 trlgG= -2.470756 logG= -0.687757 TDE= -4.590663 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.099419 tlogG= -0.583526 logG= -0.682945 Density= 3.500103 ETOT(band)= -1.768194 trlgG= -2.461764 logG= -0.682945 TDE= -4.587359 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.099313 tlogG= -0.585440 logG= -0.684753 Density= 3.499755 ETOT(band)= -1.769760 trlgG= -2.465605 logG= -0.684753 TDE= -4.589113 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.099144 tlogG= -0.584345 logG= -0.683489 Density= 3.499304 ETOT(band)= -1.769529 trlgG= -2.462530 logG= -0.683489 TDE= -4.586941 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100292 tlogG= -0.575830 logG= -0.676123 Density= 3.501964 ETOT(band)= -1.761333 trlgG= -2.451162 logG= -0.676123 TDE= -4.585072 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.099528 tlogG= -0.583063 logG= -0.682591 Density= 3.500340 ETOT(band)= -1.767653 trlgG= -2.461646 logG= -0.682591 TDE= -4.587785 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.099111 tlogG= -0.586554 logG= -0.685664 Density= 3.499474 ETOT(band)= -1.770796 trlgG= -2.465082 logG= -0.685664 TDE= -4.587452 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.098819 tlogG= -0.591414 logG= -0.690233 Density= 3.498407 ETOT(band)= -1.774967 trlgG= -2.474575 logG= -0.690233 TDE= -4.591522 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.098896 tlogG= -0.586997 logG= -0.685893 Density= 3.498687 ETOT(band)= -1.771864 trlgG= -2.466352 logG= -0.685893 TDE= -4.587863 logGD-logG0= -0.098817 tlogG= -0.588961 logG= -0.687779 Density= 3.498409 ETOT(band)= -1.773412 trlgG= -2.470039 logG= -0.687779 TDE= -4.589440 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.099713 tlogG= -0.581444 logG= -0.681157 Density= 3.500675 ETOT(band)= -1.766260 trlgG= -2.459791 logG= -0.681157 TDE= -4.587632 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.099824 tlogG= -0.579287 logG= -0.679111 Density= 3.500842 ETOT(band)= -1.764678 trlgG= -2.456288 logG= -0.679111 TDE= -4.586309 logGD-logG0= -0.099065 tlogG= -0.586795 logG= -0.685860 Density= 3.499481 ETOT(band)= -1.770970 trlgG= -2.464319 logG= -0.685860 TDE= -4.586500 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.099244 tlogG= -0.583882 logG= -0.683126 Density= 3.499491 ETOT(band)= -1.769006 trlgG= -2.462633 logG= -0.683126 TDE= -4.587557 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.099052 tlogG= -0.588230 logG= -0.687283 Density= 3.499121 ETOT(band)= -1.772192 trlgG= -2.469115 logG= -0.687283 TDE= -4.589584 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.100057 tlogG= -0.576671 logG= -0.676729 Density= 3.501392 ETOT(band)= -1.762433 trlgG= -2.452425 logG= -0.676729 TDE= -4.585270 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.099174 tlogG= -0.586266 logG= -0.685440 Density= 3.499529 ETOT(band)= -1.770529 trlgG= -2.465427 logG= -0.685440 TDE= -4.588066 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.099734 tlogG= -0.579763 logG= -0.679498 Density= 3.500726 ETOT(band)= -1.765124 trlgG= -2.456678 logG= -0.679498 TDE= -4.586220 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100534 tlogG= -0.574949 logG= -0.675483 Density= 3.502598 ETOT(band)= -1.760152 trlgG= -2.450033 logG= -0.675483 TDE= -4.585092 logGD-logG0= -0.099360 tlogG= -0.583380 logG= -0.682741 Density= 3.499748 ETOT(band)= -1.768401 trlgG= -2.462490 logG= -0.682741 TDE= -4.588005 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.098618 tlogG= -0.592103 logG= -0.690721 Density= 3.497932 ETOT(band)= -1.775938 trlgG= -2.475246 logG= -0.690721 TDE= -4.591323 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.098718 tlogG= -0.589369 logG= -0.688087 Density= 3.498259 ETOT(band)= -1.773850 trlgG= -2.469586 logG= -0.688087 TDE= -4.588560 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.099915 tlogG= -0.579108 logG= -0.679023 Density= 3.501140 ETOT(band)= -1.764299 trlgG= -2.455879 logG= -0.679023 TDE= -4.586228 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 Sum of eigenvalues= -1156.10199033181 eV TrLogG= -1609.89566043357 eV Ratio to renormalize= 1.000145928842 rho-rho_expected=-0.024512468352 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834198537223598 0.831408763062073 0.834619181396252 0.831320034195071 0.834787578013588 0.831241220162341 0.834451708354635 0.831296944246006 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100973 tlogG= -0.592155 logG= -0.693128 Density= 3.497718 ETOT(band)= -1.775891 trlgG= -2.479650 logG= -0.693128 TDE= -4.593148 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.100630 tlogG= -0.593516 logG= -0.694146 Density= 3.497026 ETOT(band)= -1.777535 trlgG= -2.480887 logG= -0.694146 TDE= -4.592812 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100857 tlogG= -0.586897 logG= -0.687754 Density= 3.497803 ETOT(band)= -1.772485 trlgG= -2.467276 logG= -0.687754 TDE= -4.586216 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.100993 tlogG= -0.588248 logG= -0.689241 Density= 3.498102 ETOT(band)= -1.772998 trlgG= -2.471148 logG= -0.689241 TDE= -4.588841 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101667 tlogG= -0.579557 logG= -0.681224 Density= 3.499525 ETOT(band)= -1.765905 trlgG= -2.459105 logG= -0.681224 TDE= -4.585957 logGD-logG0= -0.100998 tlogG= -0.586254 logG= -0.687253 Density= 3.497967 ETOT(band)= -1.771837 trlgG= -2.468578 logG= -0.687253 TDE= -4.588151 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101118 tlogG= -0.586034 logG= -0.687152 Density= 3.498439 ETOT(band)= -1.771257 trlgG= -2.467562 logG= -0.687152 TDE= -4.587614 logGD-logG0= -0.102118 tlogG= -0.577990 logG= -0.680108 Density= 3.500636 ETOT(band)= -1.763800 trlgG= -2.457204 logG= -0.680108 TDE= -4.586064 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101576 tlogG= -0.581691 logG= -0.683267 Density= 3.499371 ETOT(band)= -1.767463 trlgG= -2.462269 logG= -0.683267 TDE= -4.586954 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100746 tlogG= -0.588973 logG= -0.689719 Density= 3.497438 ETOT(band)= -1.774181 trlgG= -2.471553 logG= -0.689719 TDE= -4.588236 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101169 tlogG= -0.583949 logG= -0.685118 Density= 3.498444 ETOT(band)= -1.769885 trlgG= -2.464520 logG= -0.685118 TDE= -4.586610 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101842 tlogG= -0.578891 logG= -0.680733 logGD-logG0= -0.100908 tlogG= -0.588616 logG= -0.689523 Density= 3.499910 ETOT(band)= -1.765078 trlgG= -2.458331 logG= -0.680733 TDE= -4.585984 Density= 3.498004 ETOT(band)= -1.773354 trlgG= -2.470911 logG= -0.689523 TDE= -4.588244 logGD-logG0= -0.101212 tlogG= -0.585549 logG= -0.686761 Density= 3.498603 ETOT(band)= -1.770729 trlgG= -2.467745 logG= -0.686761 TDE= -4.588320 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100716 tlogG= -0.591554 logG= -0.692270 Density= 3.497347 ETOT(band)= -1.775912 trlgG= -2.476940 logG= -0.692270 TDE= -4.590999 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.100937 tlogG= -0.590538 logG= -0.691475 Density= 3.497665 ETOT(band)= -1.774892 trlgG= -2.476495 logG= -0.691475 TDE= -4.591603 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101428 tlogG= -0.582280 logG= -0.683708 Density= 3.499063 ETOT(band)= -1.768168 trlgG= -2.462724 logG= -0.683708 TDE= -4.586722 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100785 tlogG= -0.592854 logG= -0.693639 Density= 3.497317 ETOT(band)= -1.776756 trlgG= -2.480216 logG= -0.693639 TDE= -4.592882 logGD-logG0= -0.101933 tlogG= -0.578710 logG= -0.680644 Density= 3.500193 ETOT(band)= -1.764710 trlgG= -2.457935 logG= -0.680644 TDE= -4.585903 logGD-logG0= -0.100948 tlogG= -0.588101 logG= -0.689050 Density= 3.497766 ETOT(band)= -1.773219 trlgG= -2.471955 logG= -0.689050 TDE= -4.589570 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101347 tlogG= -0.583560 logG= -0.684907 Density= 3.499047 ETOT(band)= -1.769037 trlgG= -2.463700 logG= -0.684907 TDE= -4.586486 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100845 tlogG= -0.588565 logG= -0.689409 Density= 3.497578 ETOT(band)= -1.773747 trlgG= -2.472010 logG= -0.689409 TDE= -4.589115 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100830 tlogG= -0.589404 logG= -0.690234 Density= 3.497635 ETOT(band)= -1.774249 trlgG= -2.473021 logG= -0.690234 TDE= -4.589347 logGD-logG0= -0.101336 tlogG= -0.585042 logG= -0.686378 Density= 3.498856 ETOT(band)= -1.770142 trlgG= -2.467622 logG= -0.686378 TDE= -4.588784 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101018 tlogG= -0.586255 logG= -0.687273 Density= 3.498088 ETOT(band)= -1.771754 trlgG= -2.467998 logG= -0.687273 TDE= -4.587648 logGD-logG0= -0.100949 tlogG= -0.588869 logG= -0.689818 Density= 3.497849 ETOT(band)= -1.773647 trlgG= -2.473048 logG= -0.689818 TDE= -4.589962 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101549 tlogG= -0.582665 logG= -0.684215 Density= 3.499424 ETOT(band)= -1.768046 trlgG= -2.463675 logG= -0.684215 TDE= -4.587455 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101267 tlogG= -0.583486 logG= -0.684754 Density= 3.498621 ETOT(band)= -1.769368 trlgG= -2.464632 logG= -0.684754 TDE= -4.587229 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101077 tlogG= -0.587832 logG= -0.688909 Density= 3.498251 ETOT(band)= -1.772555 trlgG= -2.471114 logG= -0.688909 TDE= -4.589259 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100846 tlogG= -0.591015 logG= -0.691860 Density= 3.497565 ETOT(band)= -1.775309 trlgG= -2.476560 logG= -0.691860 TDE= -4.591203 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102075 tlogG= -0.576275 logG= -0.678349 Density= 3.500433 ETOT(band)= -1.762852 trlgG= -2.454479 logG= -0.678349 TDE= -4.584935 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102306 tlogG= -0.575433 logG= -0.677740 Density= 3.500973 ETOT(band)= -1.761773 trlgG= -2.453245 logG= -0.677740 TDE= -4.584743 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102025 tlogG= -0.578161 logG= -0.680186 Density= 3.500348 ETOT(band)= -1.764153 trlgG= -2.457567 logG= -0.680186 TDE= -4.586117 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101118 tlogG= -0.585752 logG= -0.686871 Density= 3.498273 ETOT(band)= -1.771190 trlgG= -2.468257 logG= -0.686871 TDE= -4.588458 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101137 tlogG= -0.586156 logG= -0.687293 Density= 3.498600 ETOT(band)= -1.771162 trlgG= -2.467081 logG= -0.687293 TDE= -4.587122 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100922 tlogG= -0.586602 logG= -0.687524 Density= 3.497849 ETOT(band)= -1.772207 trlgG= -2.468329 logG= -0.687524 TDE= -4.587536 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100786 tlogG= -0.591145 logG= -0.691931 Density= 3.497352 ETOT(band)= -1.775622 trlgG= -2.476908 logG= -0.691931 TDE= -4.591309 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101382 tlogG= -0.582985 logG= -0.684367 Density= 3.498861 ETOT(band)= -1.768774 trlgG= -2.464499 logG= -0.684367 TDE= -4.587676 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100647 tlogG= -0.591704 logG= -0.692352 Density= 3.497118 ETOT(band)= -1.776261 trlgG= -2.477209 logG= -0.692352 TDE= -4.591002 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101755 tlogG= -0.579366 logG= -0.681121 Density= 3.499802 ETOT(band)= -1.765521 trlgG= -2.458709 logG= -0.681121 TDE= -4.585886 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102545 tlogG= -0.574552 logG= -0.677096 Density= 3.501566 ETOT(band)= -1.760619 trlgG= -2.452148 logG= -0.677096 TDE= -4.584765 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101091 tlogG= -0.586397 logG= -0.687489 Density= 3.498607 ETOT(band)= -1.771339 trlgG= -2.466320 logG= -0.687489 TDE= -4.586171 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101442 tlogG= -0.583129 logG= -0.684571 Density= 3.499203 ETOT(band)= -1.768576 trlgG= -2.463783 logG= -0.684571 TDE= -4.587030 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.101732 tlogG= -0.581047 logG= -0.682779 Density= 3.499736 ETOT(band)= -1.766667 trlgG= -2.461835 logG= -0.682779 TDE= -4.587302 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100989 tlogG= -0.590429 logG= -0.691418 Density= 3.497860 ETOT(band)= -1.774616 trlgG= -2.476141 logG= -0.691418 TDE= -4.591464 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101200 tlogG= -0.585868 logG= -0.687068 Density= 3.498649 ETOT(band)= -1.770900 trlgG= -2.467430 logG= -0.687068 TDE= -4.587736 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101250 tlogG= -0.585220 logG= -0.686469 Density= 3.498545 ETOT(band)= -1.770559 trlgG= -2.468098 logG= -0.686469 TDE= -4.588919 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101085 tlogG= -0.588298 logG= -0.689383 Density= 3.498133 ETOT(band)= -1.772972 trlgG= -2.472759 logG= -0.689383 TDE= -4.590335 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.34330687488 eV TrLogG= -1610.74453514588 eV Ratio to renormalize= 1.000398022952 rho-rho_expected=-0.066841251603 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834124836753713 0.831333819075184 0.834545622778041 0.831244947386771 0.834714575980697 0.831165996664402 0.834377940481171 0.831221898598227 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100586 tlogG= -0.593498 logG= -0.694084 Density= 3.496918 ETOT(band)= -1.777368 trlgG= -2.480657 logG= -0.694084 TDE= -4.592558 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100813 tlogG= -0.586877 logG= -0.687690 Density= 3.497696 ETOT(band)= -1.772314 trlgG= -2.467033 logG= -0.687690 TDE= -4.585951 logGD-logG0= -0.100904 tlogG= -0.588083 logG= -0.688988 Density= 3.497659 ETOT(band)= -1.773051 trlgG= -2.471716 logG= -0.688988 TDE= -4.589307 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100949 tlogG= -0.588229 logG= -0.689178 Density= 3.497995 ETOT(band)= -1.772828 trlgG= -2.470909 logG= -0.689178 TDE= -4.588579 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101125 tlogG= -0.583930 logG= -0.685055 Density= 3.498337 ETOT(band)= -1.769715 trlgG= -2.464268 logG= -0.685055 TDE= -4.586336 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101623 tlogG= -0.579539 logG= -0.681162 Density= 3.499417 ETOT(band)= -1.765735 trlgG= -2.458853 logG= -0.681162 TDE= -4.585681 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.100864 tlogG= -0.588596 logG= -0.689460 Density= 3.497898 ETOT(band)= -1.773184 trlgG= -2.470676 logG= -0.689460 TDE= -4.587986 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100954 tlogG= -0.586236 logG= -0.687190 Density= 3.497860 ETOT(band)= -1.771668 trlgG= -2.468335 logG= -0.687190 TDE= -4.587885 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100893 tlogG= -0.590521 logG= -0.691414 Density= 3.497556 ETOT(band)= -1.774725 trlgG= -2.476279 logG= -0.691414 TDE= -4.591362 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100742 tlogG= -0.591127 logG= -0.691869 Density= 3.497244 ETOT(band)= -1.775454 trlgG= -2.476686 logG= -0.691869 TDE= -4.591062 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101383 tlogG= -0.582261 logG= -0.683645 Density= 3.498956 ETOT(band)= -1.767998 trlgG= -2.462472 logG= -0.683645 TDE= -4.586447 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100786 tlogG= -0.589385 logG= -0.690172 Density= 3.497528 ETOT(band)= -1.774079 trlgG= -2.472782 logG= -0.690172 TDE= -4.589084 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101205 tlogG= -0.585202 logG= -0.686407 Density= 3.498437 ETOT(band)= -1.770390 trlgG= -2.467857 logG= -0.686407 TDE= -4.588653 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101074 tlogG= -0.586014 logG= -0.687088 Density= 3.498331 ETOT(band)= -1.771087 trlgG= -2.467316 logG= -0.687088 TDE= -4.587345 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101223 tlogG= -0.583468 logG= -0.684691 Density= 3.498514 ETOT(band)= -1.769198 trlgG= -2.464390 logG= -0.684691 TDE= -4.586964 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100929 tlogG= -0.592138 logG= -0.693067 Density= 3.497609 ETOT(band)= -1.775725 trlgG= -2.479439 logG= -0.693067 TDE= -4.592911 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100741 tlogG= -0.592837 logG= -0.693578 Density= 3.497209 ETOT(band)= -1.776589 trlgG= -2.479997 logG= -0.693578 TDE= -4.592638 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101338 tlogG= -0.582967 logG= -0.684304 Density= 3.498753 ETOT(band)= -1.768605 trlgG= -2.464257 logG= -0.684304 TDE= -4.587410 logGD-logG0= -0.100672 tlogG= -0.591535 logG= -0.692207 Density= 3.497240 ETOT(band)= -1.775743 trlgG= -2.476709 logG= -0.692207 TDE= -4.590744 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.101397 tlogG= -0.583110 logG= -0.684507 Density= 3.499096 ETOT(band)= -1.768406 trlgG= -2.463540 logG= -0.684507 TDE= -4.586765 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101033 tlogG= -0.587814 logG= -0.688847 Density= 3.498143 ETOT(band)= -1.772386 trlgG= -2.470877 logG= -0.688847 TDE= -4.588997 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100802 tlogG= -0.590997 logG= -0.691798 Density= 3.497457 ETOT(band)= -1.775141 trlgG= -2.476335 logG= -0.691798 TDE= -4.590953 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101532 tlogG= -0.581673 logG= -0.683205 Density= 3.499263 ETOT(band)= -1.767294 trlgG= -2.462030 logG= -0.683205 TDE= -4.586692 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101291 tlogG= -0.585024 logG= -0.686315 Density= 3.498748 ETOT(band)= -1.769973 trlgG= -2.467381 logG= -0.686315 TDE= -4.588518 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101092 tlogG= -0.586136 logG= -0.687229 Density= 3.498493 ETOT(band)= -1.770991 trlgG= -2.466832 logG= -0.687229 TDE= -4.586852 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101168 tlogG= -0.585530 logG= -0.686698 Density= 3.498495 ETOT(band)= -1.770560 trlgG= -2.467502 logG= -0.686698 TDE= -4.588054 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101980 tlogG= -0.578144 logG= -0.680124 Density= 3.500239 ETOT(band)= -1.763985 trlgG= -2.457334 logG= -0.680124 TDE= -4.585860 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102261 tlogG= -0.575416 logG= -0.677678 Density= 3.500864 ETOT(band)= -1.761605 trlgG= -2.453008 logG= -0.677678 TDE= -4.584481 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101047 tlogG= -0.586377 logG= -0.687424 Density= 3.498500 ETOT(band)= -1.771167 trlgG= -2.466072 logG= -0.687424 TDE= -4.585902 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100974 tlogG= -0.586236 logG= -0.687210 Density= 3.497981 ETOT(band)= -1.771584 trlgG= -2.467751 logG= -0.687210 TDE= -4.587378 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100904 tlogG= -0.588851 logG= -0.689755 Density= 3.497741 ETOT(band)= -1.773479 trlgG= -2.472807 logG= -0.689755 TDE= -4.589697 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100878 tlogG= -0.586583 logG= -0.687461 Density= 3.497742 ETOT(band)= -1.772037 trlgG= -2.468085 logG= -0.687461 TDE= -4.587269 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101889 tlogG= -0.578692 logG= -0.680581 Density= 3.500085 ETOT(band)= -1.764541 trlgG= -2.457701 logG= -0.680581 TDE= -4.585645 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.100702 tlogG= -0.588953 logG= -0.689655 Density= 3.497331 ETOT(band)= -1.774012 trlgG= -2.471316 logG= -0.689655 TDE= -4.587976 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101074 tlogG= -0.585734 logG= -0.686808 Density= 3.498166 ETOT(band)= -1.771021 trlgG= -2.468015 logG= -0.686808 TDE= -4.588192 logGD-logG0= -0.101302 tlogG= -0.583540 logG= -0.684843 Density= 3.498940 ETOT(band)= -1.768866 trlgG= -2.463448 logG= -0.684843 TDE= -4.586212 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100801 tlogG= -0.588546 logG= -0.689347 Density= 3.497471 ETOT(band)= -1.773578 trlgG= -2.471771 logG= -0.689347 TDE= -4.588852 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.101156 tlogG= -0.585849 logG= -0.687004 Density= 3.498542 ETOT(band)= -1.770730 trlgG= -2.467183 logG= -0.687004 TDE= -4.587466 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100603 tlogG= -0.591686 logG= -0.692289 Density= 3.497011 ETOT(band)= -1.776093 trlgG= -2.476977 logG= -0.692289 TDE= -4.590747 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101687 tlogG= -0.581029 logG= -0.682717 Density= 3.499628 ETOT(band)= -1.766499 trlgG= -2.461594 logG= -0.682717 TDE= -4.587036 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102073 tlogG= -0.577973 logG= -0.680046 Density= 3.500528 ETOT(band)= -1.763631 trlgG= -2.456971 logG= -0.680046 TDE= -4.585806 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102499 tlogG= -0.574535 logG= -0.677035 Density= 3.501456 ETOT(band)= -1.760451 trlgG= -2.451917 logG= -0.677035 TDE= -4.584509 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101505 tlogG= -0.582647 logG= -0.684152 Density= 3.499317 ETOT(band)= -1.767877 trlgG= -2.463432 logG= -0.684152 TDE= -4.587189 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101798 tlogG= -0.578873 logG= -0.680670 Density= 3.499802 ETOT(band)= -1.764909 trlgG= -2.458097 logG= -0.680670 TDE= -4.585725 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101040 tlogG= -0.588281 logG= -0.689321 Density= 3.498025 ETOT(band)= -1.772805 trlgG= -2.472520 logG= -0.689321 TDE= -4.590071 logGD-logG0= -0.102030 tlogG= -0.576257 logG= -0.678287 Density= 3.500325 ETOT(band)= -1.762683 trlgG= -2.454228 logG= -0.678287 TDE= -4.584659 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101710 tlogG= -0.579348 logG= -0.681058 Density= 3.499694 ETOT(band)= -1.765352 trlgG= -2.458456 logG= -0.681058 TDE= -4.585610 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.100945 tlogG= -0.590412 logG= -0.691357 Density= 3.497752 ETOT(band)= -1.774449 trlgG= -2.475923 logG= -0.691357 TDE= -4.591220 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.23296776338 eV TrLogG= -1610.53235390359 eV Ratio to renormalize= 1.000428812188 rho-rho_expected=-0.072009568950 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 33) Finished k-point number 34 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 22) Finished k-point number 23 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 45) Finished k-point number 46 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= 0.834518013219732 0.831655376157185 0.834937393350081 0.831566992718373 0.835104183148185 0.831489123821724 0.834769496966536 0.831544565909492 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100840 tlogG= -0.591431 logG= -0.692270 Density= 3.497656 ETOT(band)= -1.776458 trlgG= -2.477507 logG= -0.692270 TDE= -4.591813 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.100981 tlogG= -0.586780 logG= -0.687761 Density= 3.498110 ETOT(band)= -1.773036 trlgG= -2.467882 logG= -0.687761 TDE= -4.587062 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101792 tlogG= -0.579438 logG= -0.681230 Density= 3.499835 ETOT(band)= -1.766454 trlgG= -2.459724 logG= -0.681230 TDE= -4.586819 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101294 tlogG= -0.583831 logG= -0.685125 Density= 3.498753 ETOT(band)= -1.770436 trlgG= -2.465136 logG= -0.685125 TDE= -4.587467 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101062 tlogG= -0.590410 logG= -0.691472 Density= 3.497978 ETOT(band)= -1.775431 trlgG= -2.477009 logG= -0.691472 TDE= -4.592372 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101098 tlogG= -0.592024 logG= -0.693122 Density= 3.498033 ETOT(band)= -1.776427 trlgG= -2.480143 logG= -0.693122 TDE= -4.593900 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101123 tlogG= -0.586134 logG= -0.687256 Density= 3.498279 ETOT(band)= -1.772383 trlgG= -2.469170 logG= -0.687256 TDE= -4.588990 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101968 tlogG= -0.578769 logG= -0.680737 Density= 3.500222 ETOT(band)= -1.765626 trlgG= -2.458893 logG= -0.680737 TDE= -4.586792 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.100954 tlogG= -0.589282 logG= -0.690237 Density= 3.497945 ETOT(band)= -1.774795 trlgG= -2.473612 logG= -0.690237 TDE= -4.590183 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101046 tlogG= -0.586483 logG= -0.687530 Density= 3.498158 ETOT(band)= -1.772756 trlgG= -2.468927 logG= -0.687530 TDE= -4.588377 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101215 tlogG= -0.586282 logG= -0.687497 Density= 3.498914 ETOT(band)= -1.771893 trlgG= -2.466945 logG= -0.687497 TDE= -4.587033 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101392 tlogG= -0.583367 logG= -0.684758 Density= 3.498931 ETOT(band)= -1.769916 trlgG= -2.465222 logG= -0.684758 TDE= -4.588063 logGD-logG0= -0.100771 tlogG= -0.591581 logG= -0.692352 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 Density= 3.497428 ETOT(band)= -1.776806 trlgG= -2.477775 logG= -0.692352 TDE= -4.591817 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.100754 tlogG= -0.593389 logG= -0.694143 Density= 3.497336 ETOT(band)= -1.778076 trlgG= -2.481447 logG= -0.694143 TDE= -4.593624 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101260 tlogG= -0.586039 logG= -0.687299 Density= 3.498908 ETOT(band)= -1.771715 trlgG= -2.467697 logG= -0.687299 TDE= -4.587978 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101243 tlogG= -0.585631 logG= -0.686874 Density= 3.498584 ETOT(band)= -1.771737 trlgG= -2.468847 logG= -0.686874 TDE= -4.589294 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101117 tlogG= -0.588128 logG= -0.689245 Density= 3.498411 ETOT(band)= -1.773546 trlgG= -2.471733 logG= -0.689245 TDE= -4.589670 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101552 tlogG= -0.582161 logG= -0.683713 Density= 3.499373 ETOT(band)= -1.768717 trlgG= -2.463341 logG= -0.683713 TDE= -4.587582 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101242 tlogG= -0.585915 logG= -0.687157 Density= 3.498747 ETOT(band)= -1.771806 trlgG= -2.468167 logG= -0.687157 TDE= -4.588462 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101507 tlogG= -0.582863 logG= -0.684370 Density= 3.499173 ETOT(band)= -1.769320 trlgG= -2.465088 logG= -0.684370 TDE= -4.588511 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101073 tlogG= -0.587978 logG= -0.689051 Density= 3.498078 ETOT(band)= -1.773763 trlgG= -2.472536 logG= -0.689051 TDE= -4.590400 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101114 tlogG= -0.590302 logG= -0.691416 Density= 3.498173 ETOT(band)= -1.775157 trlgG= -2.476660 logG= -0.691416 TDE= -4.592236 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102151 tlogG= -0.578037 logG= -0.680188 Density= 3.500662 ETOT(band)= -1.764698 trlgG= -2.458125 logG= -0.680188 TDE= -4.586924 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101031 tlogG= -0.588497 logG= -0.689529 Density= 3.498312 ETOT(band)= -1.773905 trlgG= -2.471495 logG= -0.689529 TDE= -4.589069 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101210 tlogG= -0.588172 logG= -0.689382 Density= 3.498446 ETOT(band)= -1.773513 trlgG= -2.473335 logG= -0.689382 TDE= -4.591163 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101337 tlogG= -0.585428 logG= -0.686765 Density= 3.498912 ETOT(band)= -1.771277 trlgG= -2.468335 logG= -0.686765 TDE= -4.589155 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102244 tlogG= -0.577867 logG= -0.680111 Density= 3.500949 ETOT(band)= -1.764345 trlgG= -2.457763 logG= -0.680111 TDE= -4.586871 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100911 tlogG= -0.591019 logG= -0.691930 Density= 3.497663 ETOT(band)= -1.776165 trlgG= -2.477443 logG= -0.691930 TDE= -4.592094 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101701 tlogG= -0.581570 logG= -0.683271 Density= 3.499682 ETOT(band)= -1.768010 trlgG= -2.462848 logG= -0.683271 TDE= -4.587779 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102200 tlogG= -0.576154 logG= -0.678354 Density= 3.500745 ETOT(band)= -1.763400 trlgG= -2.455094 logG= -0.678354 TDE= -4.585795 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102433 tlogG= -0.575310 logG= -0.677743 Density= 3.501286 ETOT(band)= -1.762319 trlgG= -2.453813 logG= -0.677743 TDE= -4.585560 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101073 tlogG= -0.588745 logG= -0.689818 Density= 3.498160 ETOT(band)= -1.774192 trlgG= -2.473633 logG= -0.689818 TDE= -4.590795 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101375 tlogG= -0.585096 logG= -0.686471 logGD-logG0= -0.101202 tlogG= -0.587710 logG= -0.688911 Density= 3.498858 ETOT(band)= -1.771102 trlgG= -2.468681 logG= -0.686471 TDE= -4.589751 Density= 3.498561 ETOT(band)= -1.773100 trlgG= -2.471691 logG= -0.688911 TDE= -4.590082 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100870 tlogG= -0.588853 logG= -0.689723 Density= 3.497746 ETOT(band)= -1.774730 trlgG= -2.472144 logG= -0.689723 TDE= -4.589070 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101142 tlogG= -0.586136 logG= -0.687278 Density= 3.498397 ETOT(band)= -1.772302 trlgG= -2.468604 logG= -0.687278 TDE= -4.588497 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100969 tlogG= -0.588443 logG= -0.689412 Density= 3.497888 ETOT(band)= -1.774294 trlgG= -2.472596 logG= -0.689412 TDE= -4.589946 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101674 tlogG= -0.582545 logG= -0.684219 Density= 3.499735 ETOT(band)= -1.768594 trlgG= -2.464263 logG= -0.684219 TDE= -4.588288 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101324 tlogG= -0.585749 logG= -0.687072 Density= 3.498958 ETOT(band)= -1.771450 trlgG= -2.468036 logG= -0.687072 TDE= -4.588585 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100910 tlogG= -0.592725 logG= -0.693635 Density= 3.497630 ETOT(band)= -1.777295 trlgG= -2.480740 logG= -0.693635 TDE= -4.593661 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101879 tlogG= -0.579248 logG= -0.681127 Density= 3.500112 ETOT(band)= -1.766072 trlgG= -2.459328 logG= -0.681127 TDE= -4.586748 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100970 tlogG= -0.590890 logG= -0.691860 Density= 3.497875 ETOT(band)= -1.775852 trlgG= -2.477105 logG= -0.691860 TDE= -4.591997 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101566 tlogG= -0.583011 logG= -0.684577 Density= 3.499512 ETOT(band)= -1.769127 trlgG= -2.464374 logG= -0.684577 TDE= -4.587864 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.102672 tlogG= -0.574426 logG= -0.677098 Density= 3.501881 ETOT(band)= -1.761162 trlgG= -2.452698 logG= -0.677098 TDE= -4.585567 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102059 tlogG= -0.578590 logG= -0.680648 Density= 3.500504 ETOT(band)= -1.765258 trlgG= -2.458495 logG= -0.680648 TDE= -4.586708 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101471 tlogG= -0.583443 logG= -0.684914 Density= 3.499355 ETOT(band)= -1.769590 trlgG= -2.464318 logG= -0.684914 TDE= -4.587344 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101858 tlogG= -0.580923 logG= -0.682781 Density= 3.500050 ETOT(band)= -1.767211 trlgG= -2.462416 logG= -0.682781 TDE= -4.588132 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101461 tlogG= -0.584919 logG= -0.686380 Density= 3.499168 ETOT(band)= -1.770687 trlgG= -2.468204 logG= -0.686380 TDE= -4.589614 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Sum of eigenvalues= -1156.70019959952 eV TrLogG= -1611.28631011670 eV Ratio to renormalize= 1.000309180394 rho-rho_expected=-0.051926251694 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 0) Finished k-point number 1 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= 0.834571359057074 0.831696181558125 0.834988792091664 0.831608611430265 0.835157092717036 0.831530078103192 0.834822494138167 0.831585524832724 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101214 tlogG= -0.588038 logG= -0.689252 Density= 3.498457 ETOT(band)= -1.773438 trlgG= -2.473131 logG= -0.689252 TDE= -4.591098 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101035 tlogG= -0.588364 logG= -0.689399 Density= 3.498322 ETOT(band)= -1.773831 trlgG= -2.471296 logG= -0.689399 TDE= -4.589007 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101146 tlogG= -0.586003 logG= -0.687149 Density= 3.498407 ETOT(band)= -1.772228 trlgG= -2.468404 logG= -0.687149 TDE= -4.588434 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100985 tlogG= -0.586648 logG= -0.687632 Density= 3.498120 ETOT(band)= -1.772963 trlgG= -2.467684 logG= -0.687632 TDE= -4.587001 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100844 tlogG= -0.591297 logG= -0.692140 Density= 3.497666 ETOT(band)= -1.776383 trlgG= -2.477305 logG= -0.692140 TDE= -4.591750 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.102436 tlogG= -0.575179 logG= -0.677615 Density= 3.501296 ETOT(band)= -1.762245 trlgG= -2.453612 logG= -0.677615 TDE= -4.585493 logGD-logG0= -0.100758 tlogG= -0.593254 logG= -0.694012 Density= 3.497347 ETOT(band)= -1.778000 trlgG= -2.481244 logG= -0.694012 TDE= -4.593560 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101796 tlogG= -0.579306 logG= -0.681102 Density= 3.499845 ETOT(band)= -1.766381 trlgG= -2.459524 logG= -0.681102 TDE= -4.586755 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101126 tlogG= -0.586001 logG= -0.687127 Density= 3.498289 ETOT(band)= -1.772309 trlgG= -2.468970 logG= -0.687127 TDE= -4.588927 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101246 tlogG= -0.585782 logG= -0.687028 Density= 3.498757 ETOT(band)= -1.771733 trlgG= -2.467968 logG= -0.687028 TDE= -4.588399 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101103 tlogG= -0.591888 logG= -0.692991 Density= 3.498045 ETOT(band)= -1.776350 trlgG= -2.479935 logG= -0.692991 TDE= -4.593832 logGD-logG0= -0.101972 tlogG= -0.578637 logG= -0.680609 Density= 3.500232 ETOT(band)= -1.765552 trlgG= -2.458692 logG= -0.680609 TDE= -4.586726 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101705 tlogG= -0.581437 logG= -0.683143 Density= 3.499692 ETOT(band)= -1.767936 trlgG= -2.462647 logG= -0.683143 TDE= -4.587714 logGD-logG0= -0.100958 tlogG= -0.589149 logG= -0.690107 Density= 3.497955 ETOT(band)= -1.774721 trlgG= -2.473411 logG= -0.690107 TDE= -4.590121 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101396 tlogG= -0.583234 logG= -0.684630 logGD-logG0= -0.100914 tlogG= -0.592590 logG= -0.693504 Density= 3.498941 ETOT(band)= -1.769843 trlgG= -2.465022 logG= -0.684630 TDE= -4.588000 Density= 3.497641 ETOT(band)= -1.777218 trlgG= -2.480535 logG= -0.693504 TDE= -4.593595 logGD-logG0= -0.101067 tlogG= -0.590275 logG= -0.691342 Density= 3.497989 ETOT(band)= -1.775355 trlgG= -2.476803 logG= -0.691342 TDE= -4.592305 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101077 tlogG= -0.587844 logG= -0.688921 Density= 3.498089 ETOT(band)= -1.773688 trlgG= -2.472334 logG= -0.688921 TDE= -4.590336 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100775 tlogG= -0.591447 logG= -0.692222 Density= 3.497438 ETOT(band)= -1.776731 trlgG= -2.477574 logG= -0.692222 TDE= -4.591754 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101556 tlogG= -0.582029 logG= -0.683585 Density= 3.499383 ETOT(band)= -1.768644 trlgG= -2.463141 logG= -0.683585 TDE= -4.587519 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101511 tlogG= -0.582730 logG= -0.684241 Density= 3.499183 ETOT(band)= -1.769245 trlgG= -2.464887 logG= -0.684241 TDE= -4.588447 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102676 tlogG= -0.574294 logG= -0.676970 Density= 3.501891 ETOT(band)= -1.761088 trlgG= -2.452495 logG= -0.676970 TDE= -4.585500 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101120 tlogG= -0.587995 logG= -0.689115 Density= 3.498421 ETOT(band)= -1.773472 trlgG= -2.471532 logG= -0.689115 TDE= -4.589607 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100974 tlogG= -0.590755 logG= -0.691729 Density= 3.497886 ETOT(band)= -1.775777 trlgG= -2.476901 logG= -0.691729 TDE= -4.591932 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100874 tlogG= -0.588720 logG= -0.689594 Density= 3.497756 ETOT(band)= -1.774656 trlgG= -2.471945 logG= -0.689594 TDE= -4.589008 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101340 tlogG= -0.585295 logG= -0.686636 Density= 3.498922 ETOT(band)= -1.771203 trlgG= -2.468134 logG= -0.686636 TDE= -4.589091 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101077 tlogG= -0.588611 logG= -0.689688 Density= 3.498170 ETOT(band)= -1.774117 trlgG= -2.473430 logG= -0.689688 TDE= -4.590731 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101297 tlogG= -0.583699 logG= -0.684997 Density= 3.498762 ETOT(band)= -1.770363 trlgG= -2.464937 logG= -0.684997 TDE= -4.587404 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102204 tlogG= -0.576022 logG= -0.678226 Density= 3.500754 ETOT(band)= -1.763327 trlgG= -2.454895 logG= -0.678226 TDE= -4.585731 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101570 tlogG= -0.582878 logG= -0.684448 Density= 3.499521 ETOT(band)= -1.769054 trlgG= -2.464174 logG= -0.684448 TDE= -4.587800 logGD-logG0= -0.101118 tlogG= -0.590167 logG= -0.691285 Density= 3.498184 ETOT(band)= -1.775081 trlgG= -2.476454 logG= -0.691285 TDE= -4.592170 logGD-logG0= -0.101883 tlogG= -0.579116 logG= -0.680999 Density= 3.500121 ETOT(band)= -1.765999 trlgG= -2.459129 logG= -0.680999 TDE= -4.586684 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102063 tlogG= -0.578458 logG= -0.680520 Density= 3.500513 ETOT(band)= -1.765185 trlgG= -2.458293 logG= -0.680520 TDE= -4.586642 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102155 tlogG= -0.577905 logG= -0.680060 Density= 3.500671 ETOT(band)= -1.764624 trlgG= -2.457922 logG= -0.680060 TDE= -4.586859 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101465 tlogG= -0.584786 logG= -0.686250 Density= 3.499178 ETOT(band)= -1.770612 trlgG= -2.468002 logG= -0.686250 TDE= -4.589549 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101050 tlogG= -0.586351 logG= -0.687401 Density= 3.498168 ETOT(band)= -1.772682 trlgG= -2.468728 logG= -0.687401 TDE= -4.588314 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.102248 tlogG= -0.577734 logG= -0.679983 Density= 3.500959 ETOT(band)= -1.764271 trlgG= -2.457561 logG= -0.679983 TDE= -4.586805 logGD-logG0= -0.101328 tlogG= -0.585616 logG= -0.686944 Density= 3.498968 ETOT(band)= -1.771376 trlgG= -2.467836 logG= -0.686944 TDE= -4.588522 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101678 tlogG= -0.582412 logG= -0.684090 Density= 3.499745 ETOT(band)= -1.768521 trlgG= -2.464062 logG= -0.684090 TDE= -4.588224 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100973 tlogG= -0.588310 logG= -0.689283 Density= 3.497898 ETOT(band)= -1.774219 trlgG= -2.472395 logG= -0.689283 TDE= -4.589883 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101378 tlogG= -0.584963 logG= -0.686341 Density= 3.498868 ETOT(band)= -1.771028 trlgG= -2.468479 logG= -0.686341 TDE= -4.589686 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100915 tlogG= -0.590885 logG= -0.691800 Density= 3.497673 ETOT(band)= -1.776089 trlgG= -2.477239 logG= -0.691800 TDE= -4.592029 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101205 tlogG= -0.587576 logG= -0.688782 Density= 3.498571 ETOT(band)= -1.773025 trlgG= -2.471489 logG= -0.688782 TDE= -4.590018 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101474 tlogG= -0.583311 logG= -0.684786 Density= 3.499364 ETOT(band)= -1.769517 trlgG= -2.464119 logG= -0.684786 TDE= -4.587281 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101264 tlogG= -0.585907 logG= -0.687171 Density= 3.498917 ETOT(band)= -1.771641 trlgG= -2.467498 logG= -0.687171 TDE= -4.587916 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101247 tlogG= -0.585498 logG= -0.686745 Density= 3.498594 ETOT(band)= -1.771662 trlgG= -2.468646 logG= -0.686745 TDE= -4.589230 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101219 tlogG= -0.586150 logG= -0.687369 Density= 3.498923 ETOT(band)= -1.771820 trlgG= -2.466748 logG= -0.687369 TDE= -4.586973 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101862 tlogG= -0.580790 logG= -0.682652 Density= 3.500060 ETOT(band)= -1.767137 trlgG= -2.462214 logG= -0.682652 TDE= -4.588067 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 Sum of eigenvalues= -1156.65167608210 eV TrLogG= -1611.16007854689 eV Ratio to renormalize= 1.000306334282 rho-rho_expected=-0.051448398953 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 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 27) Finished k-point number 28 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834492458367154 0.831630415010458 0.834911614445431 0.831541926878460 0.835078717426076 0.831464036670422 0.834743595578271 0.831519634084641 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101450 tlogG= -0.582552 logG= -0.684001 Density= 3.499031 ETOT(band)= -1.768766 trlgG= -2.464150 logG= -0.684001 TDE= -4.587829 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101280 tlogG= -0.585116 logG= -0.686395 Density= 3.498771 ETOT(band)= -1.770722 trlgG= -2.467396 logG= -0.686395 TDE= -4.588472 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101042 tlogG= -0.591710 logG= -0.692752 Density= 3.497893 ETOT(band)= -1.775872 trlgG= -2.479239 logG= -0.692752 TDE= -4.593253 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101236 tlogG= -0.583519 logG= -0.684756 Density= 3.498611 ETOT(band)= -1.769882 trlgG= -2.464187 logG= -0.684756 TDE= -4.586774 logGD-logG0= -0.100783 tlogG= -0.591117 logG= -0.691900 Density= 3.497516 ETOT(band)= -1.775902 trlgG= -2.476580 logG= -0.691900 TDE= -4.591145 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.101910 tlogG= -0.578459 logG= -0.680369 Density= 3.500079 ETOT(band)= -1.765072 trlgG= -2.457966 logG= -0.680369 TDE= -4.586118 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101617 tlogG= -0.582234 logG= -0.683850 Density= 3.499593 ETOT(band)= -1.768040 trlgG= -2.463325 logG= -0.683850 TDE= -4.587606 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101085 tlogG= -0.585823 logG= -0.686908 Density= 3.498256 ETOT(band)= -1.771748 trlgG= -2.467659 logG= -0.686908 TDE= -4.587809 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102374 tlogG= -0.575002 logG= -0.677376 Density= 3.501143 ETOT(band)= -1.761766 trlgG= -2.452883 logG= -0.677376 TDE= -4.584881 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.100897 tlogG= -0.588969 logG= -0.689867 Density= 3.497804 ETOT(band)= -1.774240 trlgG= -2.472674 logG= -0.689867 TDE= -4.589503 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101006 tlogG= -0.590097 logG= -0.691103 Density= 3.497838 ETOT(band)= -1.774876 trlgG= -2.476099 logG= -0.691103 TDE= -4.591718 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101734 tlogG= -0.579128 logG= -0.680862 Density= 3.499693 ETOT(band)= -1.765900 trlgG= -2.458774 logG= -0.680862 TDE= -4.586122 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101158 tlogG= -0.585969 logG= -0.687127 Density= 3.498772 ETOT(band)= -1.771338 trlgG= -2.465999 logG= -0.687127 TDE= -4.586345 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100912 tlogG= -0.588131 logG= -0.689043 Density= 3.497748 ETOT(band)= -1.773738 trlgG= -2.471659 logG= -0.689043 TDE= -4.589267 logGD-logG0= -0.100697 tlogG= -0.593075 logG= -0.693773 Density= 3.497197 ETOT(band)= -1.777521 trlgG= -2.480520 logG= -0.693773 TDE= -4.592955 logGD-logG0= -0.102142 tlogG= -0.575845 logG= -0.677987 Density= 3.500602 ETOT(band)= -1.762847 trlgG= -2.454146 logG= -0.677987 TDE= -4.585099 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101185 tlogG= -0.585602 logG= -0.686787 Density= 3.498606 ETOT(band)= -1.771252 trlgG= -2.467223 logG= -0.686787 TDE= -4.587775 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101495 tlogG= -0.581850 logG= -0.683344 Density= 3.499231 ETOT(band)= -1.768163 trlgG= -2.462391 logG= -0.683344 TDE= -4.586887 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100974 tlogG= -0.588184 logG= -0.689158 Density= 3.498171 ETOT(band)= -1.773349 trlgG= -2.470565 logG= -0.689158 TDE= -4.588397 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101145 tlogG= -0.587397 logG= -0.688542 Density= 3.498420 ETOT(band)= -1.772545 trlgG= -2.470756 logG= -0.688542 TDE= -4.589404 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100924 tlogG= -0.586467 logG= -0.687391 Density= 3.497969 ETOT(band)= -1.772481 trlgG= -2.466944 logG= -0.687391 TDE= -4.586380 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101016 tlogG= -0.587665 logG= -0.688681 Density= 3.497938 ETOT(band)= -1.773208 trlgG= -2.471599 logG= -0.688681 TDE= -4.589720 logGD-logG0= -0.101060 tlogG= -0.587815 logG= -0.688875 Density= 3.498270 ETOT(band)= -1.772991 trlgG= -2.470797 logG= -0.688875 TDE= -4.588992 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100715 tlogG= -0.591267 logG= -0.691982 Density= 3.497288 ETOT(band)= -1.776251 trlgG= -2.476849 logG= -0.691982 TDE= -4.591148 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.102613 tlogG= -0.574118 logG= -0.676731 Density= 3.501737 ETOT(band)= -1.760610 trlgG= -2.451775 logG= -0.676731 TDE= -4.584895 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101066 tlogG= -0.585822 logG= -0.686887 Density= 3.498137 ETOT(band)= -1.771829 trlgG= -2.468232 logG= -0.686887 TDE= -4.588307 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101644 tlogG= -0.581259 logG= -0.682903 Density= 3.499540 ETOT(band)= -1.767456 trlgG= -2.461914 logG= -0.682903 TDE= -4.587099 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100854 tlogG= -0.590706 logG= -0.691560 Density= 3.497523 ETOT(band)= -1.775610 trlgG= -2.476525 logG= -0.691560 TDE= -4.591435 logGD-logG0= -0.101153 tlogG= -0.587859 logG= -0.689012 Density= 3.498305 ETOT(band)= -1.772959 trlgG= -2.472397 logG= -0.689012 TDE= -4.590482 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101822 tlogG= -0.578937 logG= -0.680759 Density= 3.499969 ETOT(band)= -1.765518 trlgG= -2.458378 logG= -0.680759 TDE= -4.586052 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.100989 tlogG= -0.586171 logG= -0.687160 Density= 3.498017 ETOT(band)= -1.772202 trlgG= -2.467989 logG= -0.687160 TDE= -4.587695 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.102093 tlogG= -0.577728 logG= -0.679821 Density= 3.500518 ETOT(band)= -1.764144 trlgG= -2.457199 logG= -0.679821 TDE= -4.586251 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101267 tlogG= -0.585436 logG= -0.686703 Density= 3.498817 ETOT(band)= -1.770895 trlgG= -2.467091 logG= -0.686703 TDE= -4.587896 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101203 tlogG= -0.585726 logG= -0.686929 Density= 3.498766 ETOT(band)= -1.771159 trlgG= -2.466750 logG= -0.686929 TDE= -4.587288 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101057 tlogG= -0.589989 logG= -0.691046 Density= 3.498033 ETOT(band)= -1.774602 trlgG= -2.475748 logG= -0.691046 TDE= -4.591581 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101800 tlogG= -0.580613 logG= -0.682413 Density= 3.499907 ETOT(band)= -1.766658 trlgG= -2.461480 logG= -0.682413 TDE= -4.587450 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100853 tlogG= -0.592411 logG= -0.693265 Density= 3.497490 ETOT(band)= -1.776739 trlgG= -2.479825 logG= -0.693265 TDE= -4.593003 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102001 tlogG= -0.578279 logG= -0.680280 Density= 3.500361 ETOT(band)= -1.764705 trlgG= -2.457569 logG= -0.680280 TDE= -4.586036 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101404 tlogG= -0.584607 logG= -0.686011 Density= 3.499026 ETOT(band)= -1.770132 trlgG= -2.467266 logG= -0.686011 TDE= -4.588931 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101317 tlogG= -0.584785 logG= -0.686102 Density= 3.498716 ETOT(band)= -1.770548 trlgG= -2.467743 logG= -0.686102 TDE= -4.589068 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101335 tlogG= -0.583055 logG= -0.684390 Density= 3.498789 ETOT(band)= -1.769362 trlgG= -2.464286 logG= -0.684390 TDE= -4.587382 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102186 tlogG= -0.577557 logG= -0.679743 Density= 3.500806 ETOT(band)= -1.763792 trlgG= -2.456837 logG= -0.679743 TDE= -4.586198 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101509 tlogG= -0.582699 logG= -0.684207 Density= 3.499370 ETOT(band)= -1.768572 trlgG= -2.463437 logG= -0.684207 TDE= -4.587182 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101414 tlogG= -0.583131 logG= -0.684545 Density= 3.499213 ETOT(band)= -1.769035 trlgG= -2.463369 logG= -0.684545 TDE= -4.586650 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100813 tlogG= -0.588540 logG= -0.689353 Density= 3.497606 ETOT(band)= -1.774175 trlgG= -2.471210 logG= -0.689353 TDE= -4.588394 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100913 tlogG= -0.590576 logG= -0.691489 Density= 3.497735 ETOT(band)= -1.775297 trlgG= -2.476183 logG= -0.691489 TDE= -4.591334 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101016 tlogG= -0.588432 logG= -0.689449 Density= 3.498019 ETOT(band)= -1.773637 trlgG= -2.472693 logG= -0.689449 TDE= -4.590113 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101186 tlogG= -0.585319 logG= -0.686505 Density= 3.498442 ETOT(band)= -1.771182 trlgG= -2.467908 logG= -0.686505 TDE= -4.588611 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.33807765761 eV TrLogG= -1610.60198111472 eV Ratio to renormalize= 1.000349612227 rho-rho_expected=-0.058714326825 nargs= 1 argi=dmft2.def 22) Finished k-point number 23 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 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= 104 10) Finished k-point number 11 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834553193115685 0.831681734418565 0.834971122831527 0.831593804613933 0.835138879874351 0.831515621100191 0.834804142535949 0.831571125618253 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100708 tlogG= -0.592906 logG= -0.693614 Density= 3.497223 ETOT(band)= -1.777332 trlgG= -2.480175 logG= -0.693614 TDE= -4.592789 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101016 tlogG= -0.589928 logG= -0.690944 Density= 3.497864 ETOT(band)= -1.774686 trlgG= -2.475750 logG= -0.690944 TDE= -4.591549 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100985 tlogG= -0.588017 logG= -0.689002 Density= 3.498196 ETOT(band)= -1.773162 trlgG= -2.470224 logG= -0.689002 TDE= -4.588232 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101655 tlogG= -0.581091 logG= -0.682746 Density= 3.499565 ETOT(band)= -1.767268 trlgG= -2.461571 logG= -0.682746 TDE= -4.586934 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101290 tlogG= -0.584948 logG= -0.686238 Density= 3.498796 ETOT(band)= -1.770534 trlgG= -2.467054 logG= -0.686238 TDE= -4.588307 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101076 tlogG= -0.585654 logG= -0.686730 Density= 3.498163 ETOT(band)= -1.771641 trlgG= -2.467890 logG= -0.686730 TDE= -4.588144 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100794 tlogG= -0.590949 logG= -0.691742 Density= 3.497542 ETOT(band)= -1.775714 trlgG= -2.476236 logG= -0.691742 TDE= -4.590979 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.100908 tlogG= -0.588801 logG= -0.689709 Density= 3.497830 ETOT(band)= -1.774052 trlgG= -2.472333 logG= -0.689709 TDE= -4.589339 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102153 tlogG= -0.575677 logG= -0.677830 Density= 3.500627 ETOT(band)= -1.762658 trlgG= -2.453805 logG= -0.677830 TDE= -4.584936 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.100934 tlogG= -0.586301 logG= -0.687235 Density= 3.497994 ETOT(band)= -1.772295 trlgG= -2.466605 logG= -0.687235 TDE= -4.586218 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101921 tlogG= -0.578291 logG= -0.680212 Density= 3.500105 ETOT(band)= -1.764884 trlgG= -2.457622 logG= -0.680212 TDE= -4.585951 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101196 tlogG= -0.585435 logG= -0.686631 Density= 3.498631 ETOT(band)= -1.771064 trlgG= -2.466883 logG= -0.686631 TDE= -4.587611 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101505 tlogG= -0.581682 logG= -0.683187 Density= 3.499257 ETOT(band)= -1.767975 trlgG= -2.462051 logG= -0.683187 TDE= -4.586724 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101000 tlogG= -0.586004 logG= -0.687004 Density= 3.498042 ETOT(band)= -1.772014 trlgG= -2.467649 logG= -0.687004 TDE= -4.587531 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.102624 tlogG= -0.573949 logG= -0.676573 Density= 3.501763 ETOT(band)= -1.760420 trlgG= -2.451428 logG= -0.676573 TDE= -4.584727 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.100725 tlogG= -0.591099 logG= -0.691824 Density= 3.497314 ETOT(band)= -1.776062 trlgG= -2.476505 logG= -0.691824 TDE= -4.590982 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101027 tlogG= -0.588264 logG= -0.689291 Density= 3.498045 ETOT(band)= -1.773448 trlgG= -2.472350 logG= -0.689291 TDE= -4.589948 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101052 tlogG= -0.591540 logG= -0.692593 Density= 3.497920 ETOT(band)= -1.775681 trlgG= -2.478887 logG= -0.692593 TDE= -4.593082 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.100865 tlogG= -0.590537 logG= -0.691402 Density= 3.497549 ETOT(band)= -1.775420 trlgG= -2.476178 logG= -0.691402 TDE= -4.591266 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101745 tlogG= -0.578960 logG= -0.680705 Density= 3.499718 ETOT(band)= -1.765713 trlgG= -2.458434 logG= -0.680705 TDE= -4.585960 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101832 tlogG= -0.578770 logG= -0.680602 Density= 3.499994 ETOT(band)= -1.765330 trlgG= -2.458039 logG= -0.680602 TDE= -4.585889 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101277 tlogG= -0.585269 logG= -0.686546 Density= 3.498842 ETOT(band)= -1.770707 trlgG= -2.466750 logG= -0.686546 TDE= -4.587733 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100924 tlogG= -0.590408 logG= -0.691331 Density= 3.497761 ETOT(band)= -1.775108 trlgG= -2.475837 logG= -0.691331 TDE= -4.591166 logGD-logG0= -0.100824 tlogG= -0.588373 logG= -0.689196 Density= 3.497631 ETOT(band)= -1.773987 trlgG= -2.470869 logG= -0.689196 TDE= -4.588230 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100864 tlogG= -0.592242 logG= -0.693106 Density= 3.497516 ETOT(band)= -1.776549 trlgG= -2.479476 logG= -0.693106 TDE= -4.592834 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101345 tlogG= -0.582888 logG= -0.684233 Density= 3.498815 ETOT(band)= -1.769174 trlgG= -2.463944 logG= -0.684233 TDE= -4.587218 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101214 tlogG= -0.585559 logG= -0.686773 Density= 3.498791 ETOT(band)= -1.770973 trlgG= -2.466411 logG= -0.686773 TDE= -4.587125 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100923 tlogG= -0.587963 logG= -0.688885 Density= 3.497773 ETOT(band)= -1.773550 trlgG= -2.471317 logG= -0.688885 TDE= -4.589102 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101414 tlogG= -0.584439 logG= -0.685853 Density= 3.499052 ETOT(band)= -1.769944 trlgG= -2.466923 logG= -0.685853 TDE= -4.588766 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101328 tlogG= -0.584616 logG= -0.685944 Density= 3.498742 ETOT(band)= -1.770359 trlgG= -2.467400 logG= -0.685944 TDE= -4.588903 logGD-logG0= -0.101070 tlogG= -0.587647 logG= -0.688718 Density= 3.498295 ETOT(band)= -1.772804 trlgG= -2.470455 logG= -0.688718 TDE= -4.588827 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101519 tlogG= -0.582532 logG= -0.684051 Density= 3.499395 ETOT(band)= -1.768385 trlgG= -2.463096 logG= -0.684051 TDE= -4.587017 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101164 tlogG= -0.587691 logG= -0.688854 Density= 3.498331 ETOT(band)= -1.772769 trlgG= -2.472052 logG= -0.688854 TDE= -4.590316 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101096 tlogG= -0.585656 logG= -0.686752 Density= 3.498281 ETOT(band)= -1.771560 trlgG= -2.467319 logG= -0.686752 TDE= -4.587646 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102197 tlogG= -0.577389 logG= -0.679586 Density= 3.500832 ETOT(band)= -1.763603 trlgG= -2.456492 logG= -0.679586 TDE= -4.586030 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101196 tlogG= -0.585151 logG= -0.686347 Density= 3.498468 ETOT(band)= -1.770994 trlgG= -2.467566 logG= -0.686347 TDE= -4.588447 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101811 tlogG= -0.580444 logG= -0.682255 Density= 3.499933 ETOT(band)= -1.766469 trlgG= -2.461136 logG= -0.682255 TDE= -4.587285 logGD-logG0= -0.101168 tlogG= -0.585802 logG= -0.686971 Density= 3.498797 ETOT(band)= -1.771151 trlgG= -2.465662 logG= -0.686971 TDE= -4.586183 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101027 tlogG= -0.587497 logG= -0.688524 Density= 3.497964 ETOT(band)= -1.773019 trlgG= -2.471256 logG= -0.688524 TDE= -4.589555 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101247 tlogG= -0.583352 logG= -0.684600 Density= 3.498636 ETOT(band)= -1.769694 trlgG= -2.463848 logG= -0.684600 TDE= -4.586611 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101627 tlogG= -0.582066 logG= -0.683693 Density= 3.499618 ETOT(band)= -1.767852 trlgG= -2.462983 logG= -0.683693 TDE= -4.587441 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101155 tlogG= -0.587229 logG= -0.688384 Density= 3.498446 ETOT(band)= -1.772357 trlgG= -2.470413 logG= -0.688384 TDE= -4.589239 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101461 tlogG= -0.582384 logG= -0.683844 Density= 3.499057 ETOT(band)= -1.768577 trlgG= -2.463808 logG= -0.683844 TDE= -4.587664 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102385 tlogG= -0.574833 logG= -0.677219 Density= 3.501168 ETOT(band)= -1.761577 trlgG= -2.452538 logG= -0.677219 TDE= -4.584714 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102104 tlogG= -0.577559 logG= -0.679663 Density= 3.500544 ETOT(band)= -1.763955 trlgG= -2.456853 logG= -0.679663 TDE= -4.586084 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101068 tlogG= -0.589820 logG= -0.690887 Density= 3.498059 ETOT(band)= -1.774412 trlgG= -2.475399 logG= -0.690887 TDE= -4.591411 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101424 tlogG= -0.582964 logG= -0.684388 Density= 3.499238 ETOT(band)= -1.768848 trlgG= -2.463030 logG= -0.684388 TDE= -4.586488 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102012 tlogG= -0.578112 logG= -0.680123 Density= 3.500386 ETOT(band)= -1.764517 trlgG= -2.457224 logG= -0.680123 TDE= -4.585869 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1156.21507584455 eV TrLogG= -1610.39144533109 eV Ratio to renormalize= 1.000342311752 rho-rho_expected=-0.057488695231 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 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= 105 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 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= 105 27) Finished k-point number 28 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834562239691911 0.831690089688613 0.834980197989157 0.831602222194094 0.835147892134435 0.831524032392866 0.834813306352449 0.831579500185572 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100805 tlogG= -0.590977 logG= -0.691783 Density= 3.497570 ETOT(band)= -1.775751 trlgG= -2.476313 logG= -0.691783 TDE= -4.591038 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101259 tlogG= -0.583380 logG= -0.684639 Density= 3.498665 ETOT(band)= -1.769731 trlgG= -2.463929 logG= -0.684639 TDE= -4.586676 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100996 tlogG= -0.588045 logG= -0.689042 Density= 3.498225 ETOT(band)= -1.773199 trlgG= -2.470301 logG= -0.689042 TDE= -4.588292 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101088 tlogG= -0.585682 logG= -0.686770 Density= 3.498192 ETOT(band)= -1.771677 trlgG= -2.467969 logG= -0.686770 TDE= -4.588206 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101666 tlogG= -0.581119 logG= -0.682785 Density= 3.499594 ETOT(band)= -1.767304 trlgG= -2.461648 logG= -0.682785 TDE= -4.586995 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101107 tlogG= -0.585684 logG= -0.686791 Density= 3.498310 ETOT(band)= -1.771596 trlgG= -2.467399 logG= -0.686791 TDE= -4.587709 logGD-logG0= -0.101844 tlogG= -0.578797 logG= -0.680641 Density= 3.500023 ETOT(band)= -1.765366 trlgG= -2.458120 logG= -0.680641 TDE= -4.585954 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.100720 tlogG= -0.592935 logG= -0.693655 Density= 3.497251 ETOT(band)= -1.777368 trlgG= -2.480252 logG= -0.693655 TDE= -4.592848 logGD-logG0= -0.101064 tlogG= -0.591569 logG= -0.692633 Density= 3.497948 ETOT(band)= -1.775718 trlgG= -2.478959 logG= -0.692633 TDE= -4.593137 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.102397 tlogG= -0.574860 logG= -0.677257 Density= 3.501197 ETOT(band)= -1.761613 trlgG= -2.452615 logG= -0.677257 TDE= -4.584775 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.100737 tlogG= -0.591127 logG= -0.691864 Density= 3.497342 ETOT(band)= -1.776099 trlgG= -2.476582 logG= -0.691864 TDE= -4.591042 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.100876 tlogG= -0.592271 logG= -0.693146 Density= 3.497545 ETOT(band)= -1.776586 trlgG= -2.479551 logG= -0.693146 TDE= -4.592891 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101038 tlogG= -0.587525 logG= -0.688563 Density= 3.497992 ETOT(band)= -1.773056 trlgG= -2.471335 logG= -0.688563 TDE= -4.589617 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100920 tlogG= -0.588830 logG= -0.689749 Density= 3.497858 ETOT(band)= -1.774089 trlgG= -2.472411 logG= -0.689749 TDE= -4.589401 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100946 tlogG= -0.586329 logG= -0.687275 Density= 3.498023 ETOT(band)= -1.772331 trlgG= -2.466684 logG= -0.687275 TDE= -4.586280 logGD-logG0= -0.101028 tlogG= -0.589956 logG= -0.690984 Density= 3.497893 ETOT(band)= -1.774723 trlgG= -2.475823 logG= -0.690984 TDE= -4.591605 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102636 tlogG= -0.573976 logG= -0.676612 Density= 3.501792 ETOT(band)= -1.760455 trlgG= -2.451503 logG= -0.676612 TDE= -4.584787 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101639 tlogG= -0.582094 logG= -0.683733 Density= 3.499647 ETOT(band)= -1.767888 trlgG= -2.463062 logG= -0.683733 TDE= -4.587503 logGD-logG0= -0.100876 tlogG= -0.590566 logG= -0.691442 Density= 3.497577 ETOT(band)= -1.775457 trlgG= -2.476253 logG= -0.691442 TDE= -4.591324 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101175 tlogG= -0.587719 logG= -0.688894 Density= 3.498360 ETOT(band)= -1.772805 trlgG= -2.472131 logG= -0.688894 TDE= -4.590378 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101933 tlogG= -0.578319 logG= -0.680251 Density= 3.500134 ETOT(band)= -1.764919 trlgG= -2.457698 logG= -0.680251 TDE= -4.586012 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102116 tlogG= -0.577586 logG= -0.679702 Density= 3.500573 ETOT(band)= -1.763991 trlgG= -2.456929 logG= -0.679702 TDE= -4.586144 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101289 tlogG= -0.585297 logG= -0.686586 Density= 3.498871 ETOT(band)= -1.770744 trlgG= -2.466831 logG= -0.686586 TDE= -4.587796 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101302 tlogG= -0.584976 logG= -0.686278 Density= 3.498825 ETOT(band)= -1.770571 trlgG= -2.467133 logG= -0.686278 TDE= -4.588370 logGD-logG0= -0.101357 tlogG= -0.582916 logG= -0.684272 Density= 3.498843 ETOT(band)= -1.769210 trlgG= -2.464023 logG= -0.684272 TDE= -4.587280 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101082 tlogG= -0.587676 logG= -0.688758 Density= 3.498324 ETOT(band)= -1.772840 trlgG= -2.470534 logG= -0.688758 TDE= -4.588888 logGD-logG0= -0.101472 tlogG= -0.582411 logG= -0.683884 Density= 3.499086 ETOT(band)= -1.768613 trlgG= -2.463887 logG= -0.683884 TDE= -4.587727 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101531 tlogG= -0.582559 logG= -0.684090 Density= 3.499424 ETOT(band)= -1.768421 trlgG= -2.463175 logG= -0.684090 TDE= -4.587079 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101517 tlogG= -0.581710 logG= -0.683227 Density= 3.499285 ETOT(band)= -1.768011 trlgG= -2.462132 logG= -0.683227 TDE= -4.586789 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101207 tlogG= -0.585463 logG= -0.686670 Density= 3.498660 ETOT(band)= -1.771101 trlgG= -2.466963 logG= -0.686670 TDE= -4.587675 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101757 tlogG= -0.578988 logG= -0.680744 Density= 3.499747 ETOT(band)= -1.765749 trlgG= -2.458515 logG= -0.680744 TDE= -4.586025 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100934 tlogG= -0.587991 logG= -0.688925 Density= 3.497802 ETOT(band)= -1.773587 trlgG= -2.471396 logG= -0.688925 TDE= -4.589164 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101225 tlogG= -0.585588 logG= -0.686813 Density= 3.498820 ETOT(band)= -1.771009 trlgG= -2.466491 logG= -0.686813 TDE= -4.587189 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100935 tlogG= -0.590436 logG= -0.691372 Density= 3.497789 ETOT(band)= -1.775144 trlgG= -2.475913 logG= -0.691372 TDE= -4.591225 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101039 tlogG= -0.588292 logG= -0.689331 Density= 3.498074 ETOT(band)= -1.773485 trlgG= -2.472430 logG= -0.689331 TDE= -4.590010 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102209 tlogG= -0.577416 logG= -0.679625 Density= 3.500861 ETOT(band)= -1.763639 trlgG= -2.456568 logG= -0.679625 TDE= -4.586091 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101208 tlogG= -0.585179 logG= -0.686387 Density= 3.498497 ETOT(band)= -1.771030 trlgG= -2.467645 logG= -0.686387 TDE= -4.588509 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101180 tlogG= -0.585831 logG= -0.687011 Density= 3.498826 ETOT(band)= -1.771188 trlgG= -2.465742 logG= -0.687011 TDE= -4.586246 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101012 tlogG= -0.586032 logG= -0.687043 Density= 3.498071 ETOT(band)= -1.772050 trlgG= -2.467728 logG= -0.687043 TDE= -4.587594 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.102023 tlogG= -0.578139 logG= -0.680162 Density= 3.500415 ETOT(band)= -1.764552 trlgG= -2.457301 logG= -0.680162 TDE= -4.585929 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.100835 tlogG= -0.588401 logG= -0.689236 Density= 3.497659 ETOT(band)= -1.774024 trlgG= -2.470947 logG= -0.689236 TDE= -4.588290 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101079 tlogG= -0.589848 logG= -0.690927 Density= 3.498088 ETOT(band)= -1.774448 trlgG= -2.475473 logG= -0.690927 TDE= -4.591468 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101823 tlogG= -0.580472 logG= -0.682294 Density= 3.499962 ETOT(band)= -1.766505 trlgG= -2.461214 logG= -0.682294 TDE= -4.587347 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101167 tlogG= -0.587257 logG= -0.688424 Density= 3.498474 ETOT(band)= -1.772393 trlgG= -2.470491 logG= -0.688424 TDE= -4.589300 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101436 tlogG= -0.582992 logG= -0.684428 Density= 3.499267 ETOT(band)= -1.768884 trlgG= -2.463112 logG= -0.684428 TDE= -4.586552 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102165 tlogG= -0.575704 logG= -0.677869 Density= 3.500656 ETOT(band)= -1.762694 trlgG= -2.453886 logG= -0.677869 TDE= -4.585001 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101340 tlogG= -0.584644 logG= -0.685984 Density= 3.498771 ETOT(band)= -1.770395 trlgG= -2.467479 logG= -0.685984 TDE= -4.588966 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101426 tlogG= -0.584467 logG= -0.685893 Density= 3.499081 ETOT(band)= -1.769980 trlgG= -2.467001 logG= -0.685893 TDE= -4.588828 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 Sum of eigenvalues= -1156.23875842357 eV TrLogG= -1610.45742503690 eV Ratio to renormalize= 1.000334130600 rho-rho_expected=-0.056115190976 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 37) Finished k-point number 38 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 33) Finished k-point number 34 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834567084868684 0.831694864798879 0.834984961358185 0.831607019276667 0.835152699719454 0.831528827136089 0.834818114992079 0.831584298182736 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101088 tlogG= -0.585663 logG= -0.686751 Density= 3.498192 ETOT(band)= -1.771668 trlgG= -2.467941 logG= -0.686751 TDE= -4.588197 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100720 tlogG= -0.592915 logG= -0.693635 Density= 3.497252 ETOT(band)= -1.777358 trlgG= -2.480223 logG= -0.693635 TDE= -4.592840 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101064 tlogG= -0.591549 logG= -0.692614 Density= 3.497949 ETOT(band)= -1.775708 trlgG= -2.478931 logG= -0.692614 TDE= -4.593129 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.100806 tlogG= -0.590958 logG= -0.691764 Density= 3.497571 ETOT(band)= -1.775741 trlgG= -2.476285 logG= -0.691764 TDE= -4.591030 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.100737 tlogG= -0.591108 logG= -0.691845 Density= 3.497343 ETOT(band)= -1.776089 trlgG= -2.476553 logG= -0.691845 TDE= -4.591033 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101823 tlogG= -0.580452 logG= -0.682275 Density= 3.499963 ETOT(band)= -1.766495 trlgG= -2.461186 logG= -0.682275 TDE= -4.587338 logGD-logG0= -0.101082 tlogG= -0.587657 logG= -0.688739 Density= 3.498325 ETOT(band)= -1.772830 trlgG= -2.470506 logG= -0.688739 TDE= -4.588880 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101208 tlogG= -0.585444 logG= -0.686651 Density= 3.498660 ETOT(band)= -1.771091 trlgG= -2.466935 logG= -0.686651 TDE= -4.587666 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100997 tlogG= -0.588026 logG= -0.689023 Density= 3.498225 ETOT(band)= -1.773190 trlgG= -2.470273 logG= -0.689023 TDE= -4.588284 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101667 tlogG= -0.581099 logG= -0.682766 Density= 3.499595 ETOT(band)= -1.767295 trlgG= -2.461620 logG= -0.682766 TDE= -4.586987 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101933 tlogG= -0.578299 logG= -0.680232 Density= 3.500134 ETOT(band)= -1.764910 trlgG= -2.457670 logG= -0.680232 TDE= -4.586003 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100946 tlogG= -0.586310 logG= -0.687256 Density= 3.498023 ETOT(band)= -1.772322 trlgG= -2.466656 logG= -0.687256 TDE= -4.586271 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101028 tlogG= -0.589937 logG= -0.690965 Density= 3.497894 ETOT(band)= -1.774713 trlgG= -2.475794 logG= -0.690965 TDE= -4.591597 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100920 tlogG= -0.588810 logG= -0.689730 Density= 3.497859 ETOT(band)= -1.774079 trlgG= -2.472383 logG= -0.689730 TDE= -4.589392 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101302 tlogG= -0.584957 logG= -0.686259 Density= 3.498826 ETOT(band)= -1.770561 trlgG= -2.467105 logG= -0.686259 TDE= -4.588361 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101175 tlogG= -0.587699 logG= -0.688875 Density= 3.498361 ETOT(band)= -1.772796 trlgG= -2.472103 logG= -0.688875 TDE= -4.590370 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101259 tlogG= -0.583361 logG= -0.684620 Density= 3.498666 ETOT(band)= -1.769722 trlgG= -2.463901 logG= -0.684620 TDE= -4.586668 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101757 tlogG= -0.578969 logG= -0.680726 Density= 3.499748 ETOT(band)= -1.765739 trlgG= -2.458487 logG= -0.680726 TDE= -4.586017 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102398 tlogG= -0.574841 logG= -0.677238 Density= 3.501198 ETOT(band)= -1.761604 trlgG= -2.452587 logG= -0.677238 TDE= -4.584767 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101639 tlogG= -0.582074 logG= -0.683714 Density= 3.499648 ETOT(band)= -1.767879 trlgG= -2.463034 logG= -0.683714 TDE= -4.587494 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101517 tlogG= -0.581691 logG= -0.683208 Density= 3.499286 ETOT(band)= -1.768002 trlgG= -2.462105 logG= -0.683208 TDE= -4.586781 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102209 tlogG= -0.577397 logG= -0.679606 Density= 3.500862 ETOT(band)= -1.763629 trlgG= -2.456539 logG= -0.679606 TDE= -4.586082 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101426 tlogG= -0.584447 logG= -0.685873 Density= 3.499081 ETOT(band)= -1.769971 trlgG= -2.466973 logG= -0.685873 TDE= -4.588820 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102637 tlogG= -0.573956 logG= -0.676593 Density= 3.501793 ETOT(band)= -1.760446 trlgG= -2.451475 logG= -0.676593 TDE= -4.584778 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101080 tlogG= -0.589828 logG= -0.690908 Density= 3.498088 ETOT(band)= -1.774439 trlgG= -2.475444 logG= -0.690908 TDE= -4.591459 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101107 tlogG= -0.585665 logG= -0.686772 Density= 3.498311 ETOT(band)= -1.771587 trlgG= -2.467371 logG= -0.686772 TDE= -4.587701 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101289 tlogG= -0.585278 logG= -0.686567 Density= 3.498871 ETOT(band)= -1.770734 trlgG= -2.466803 logG= -0.686567 TDE= -4.587788 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100934 tlogG= -0.587972 logG= -0.688906 Density= 3.497802 ETOT(band)= -1.773578 trlgG= -2.471368 logG= -0.688906 TDE= -4.589155 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101357 tlogG= -0.582896 logG= -0.684253 Density= 3.498844 ETOT(band)= -1.769201 trlgG= -2.463995 logG= -0.684253 TDE= -4.587271 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101039 tlogG= -0.587506 logG= -0.688544 Density= 3.497993 ETOT(band)= -1.773047 trlgG= -2.471306 logG= -0.688544 TDE= -4.589609 logGD-logG0= -0.101039 tlogG= -0.588273 logG= -0.689312 Density= 3.498074 ETOT(band)= -1.773475 trlgG= -2.472401 logG= -0.689312 TDE= -4.590002 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101208 tlogG= -0.585160 logG= -0.686368 Density= 3.498497 ETOT(band)= -1.771021 trlgG= -2.467617 logG= -0.686368 TDE= -4.588500 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100936 tlogG= -0.590417 logG= -0.691352 Density= 3.497790 ETOT(band)= -1.775135 trlgG= -2.475885 logG= -0.691352 TDE= -4.591216 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100876 tlogG= -0.592251 logG= -0.693127 Density= 3.497546 ETOT(band)= -1.776576 trlgG= -2.479522 logG= -0.693127 TDE= -4.592883 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102165 tlogG= -0.575685 logG= -0.677850 Density= 3.500657 ETOT(band)= -1.762685 trlgG= -2.453858 logG= -0.677850 TDE= -4.584993 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101845 tlogG= -0.578778 logG= -0.680623 Density= 3.500024 ETOT(band)= -1.765357 trlgG= -2.458092 logG= -0.680623 TDE= -4.585946 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101226 tlogG= -0.585568 logG= -0.686794 Density= 3.498820 ETOT(band)= -1.771000 trlgG= -2.466464 logG= -0.686794 TDE= -4.587180 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101531 tlogG= -0.582540 logG= -0.684071 Density= 3.499425 ETOT(band)= -1.768412 trlgG= -2.463147 logG= -0.684071 TDE= -4.587071 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101436 tlogG= -0.582973 logG= -0.684409 Density= 3.499267 ETOT(band)= -1.768875 trlgG= -2.463084 logG= -0.684409 TDE= -4.586544 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101340 tlogG= -0.584625 logG= -0.685965 Density= 3.498772 ETOT(band)= -1.770386 trlgG= -2.467451 logG= -0.685965 TDE= -4.588957 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102116 tlogG= -0.577567 logG= -0.679683 Density= 3.500574 ETOT(band)= -1.763982 trlgG= -2.456901 logG= -0.679683 TDE= -4.586136 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101167 tlogG= -0.587238 logG= -0.688405 Density= 3.498475 ETOT(band)= -1.772384 trlgG= -2.470463 logG= -0.688405 TDE= -4.589291 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100877 tlogG= -0.590546 logG= -0.691423 Density= 3.497578 ETOT(band)= -1.775447 trlgG= -2.476225 logG= -0.691423 TDE= -4.591316 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101012 tlogG= -0.586013 logG= -0.687025 Density= 3.498072 ETOT(band)= -1.772041 trlgG= -2.467700 logG= -0.687025 TDE= -4.587585 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.100835 tlogG= -0.588382 logG= -0.689217 Density= 3.497660 ETOT(band)= -1.774015 trlgG= -2.470919 logG= -0.689217 TDE= -4.588282 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101180 tlogG= -0.585812 logG= -0.686992 Density= 3.498826 ETOT(band)= -1.771179 trlgG= -2.465714 logG= -0.686992 TDE= -4.586238 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101472 tlogG= -0.582392 logG= -0.683865 Density= 3.499086 ETOT(band)= -1.768604 trlgG= -2.463859 logG= -0.683865 TDE= -4.587718 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102024 tlogG= -0.578120 logG= -0.680143 Density= 3.500416 ETOT(band)= -1.764543 trlgG= -2.457272 logG= -0.680143 TDE= -4.585920 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 Sum of eigenvalues= -1156.23268733687 eV TrLogG= -1610.43947221615 eV Ratio to renormalize= 1.000333911492 rho-rho_expected=-0.056078405460 nargs= 1 argi=dmft2.def 19) Finished k-point number 20 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 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 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834570107272207 0.831697568440749 0.834987938935915 0.831609746383774 0.835155705141248 0.831531533609056 0.834821155981847 0.831586993584034 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100572 tlogG= -0.592910 logG= -0.693482 Density= 3.496776 ETOT(band)= -1.777756 trlgG= -2.480464 logG= -0.693482 TDE= -4.592852 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101782 tlogG= -0.578295 logG= -0.680077 Density= 3.499653 ETOT(band)= -1.765308 trlgG= -2.457914 logG= -0.680077 TDE= -4.586016 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100657 tlogG= -0.590953 logG= -0.691610 Density= 3.497092 ETOT(band)= -1.776139 trlgG= -2.476528 logG= -0.691610 TDE= -4.591042 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.100771 tlogG= -0.588805 logG= -0.689576 Density= 3.497380 ETOT(band)= -1.774478 trlgG= -2.472626 logG= -0.689576 TDE= -4.589405 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100847 tlogG= -0.588021 logG= -0.688868 Density= 3.497742 ETOT(band)= -1.773592 trlgG= -2.470519 logG= -0.688868 TDE= -4.588296 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100879 tlogG= -0.589932 logG= -0.690811 Density= 3.497417 ETOT(band)= -1.775110 trlgG= -2.476035 logG= -0.690811 TDE= -4.591608 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100797 tlogG= -0.586305 logG= -0.687102 Density= 3.497544 ETOT(band)= -1.772721 trlgG= -2.466899 logG= -0.687102 TDE= -4.586284 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100589 tlogG= -0.591103 logG= -0.691692 Density= 3.496866 ETOT(band)= -1.776487 trlgG= -2.476795 logG= -0.691692 TDE= -4.591045 logGD-logG0= -0.101367 tlogG= -0.581686 logG= -0.683053 Density= 3.498804 ETOT(band)= -1.768402 trlgG= -2.462349 logG= -0.683053 TDE= -4.586794 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100939 tlogG= -0.585658 logG= -0.686597 Density= 3.497714 ETOT(band)= -1.772065 trlgG= -2.468184 logG= -0.686597 TDE= -4.588210 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101323 tlogG= -0.582387 logG= -0.683710 Density= 3.498607 ETOT(band)= -1.769001 trlgG= -2.464101 logG= -0.683710 TDE= -4.587731 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101152 tlogG= -0.584952 logG= -0.686104 Density= 3.498344 ETOT(band)= -1.770961 trlgG= -2.467350 logG= -0.686104 TDE= -4.588374 logGD-logG0= -0.100958 tlogG= -0.585660 logG= -0.686618 Density= 3.497831 ETOT(band)= -1.771986 trlgG= -2.467615 logG= -0.686618 TDE= -4.587714 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100786 tlogG= -0.587967 logG= -0.688752 logGD-logG0= -0.101109 tlogG= -0.583356 logG= -0.684466 Density= 3.497325 ETOT(band)= -1.773975 trlgG= -2.471609 logG= -0.688752 TDE= -4.589168 Density= 3.498186 ETOT(band)= -1.770120 trlgG= -2.464145 logG= -0.684466 TDE= -4.586681 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100933 tlogG= -0.587652 logG= -0.688584 Density= 3.497843 ETOT(band)= -1.773231 trlgG= -2.470750 logG= -0.688584 TDE= -4.588892 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101139 tlogG= -0.585273 logG= -0.686412 Density= 3.498388 ETOT(band)= -1.771135 trlgG= -2.467049 logG= -0.686412 TDE= -4.587800 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100915 tlogG= -0.591544 logG= -0.692460 Density= 3.497472 ETOT(band)= -1.776105 trlgG= -2.479171 logG= -0.692460 TDE= -4.593140 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.100863 tlogG= -0.586008 logG= -0.686871 Density= 3.497593 ETOT(band)= -1.772439 trlgG= -2.467943 logG= -0.686871 TDE= -4.587598 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.100931 tlogG= -0.589823 logG= -0.690754 Density= 3.497610 ETOT(band)= -1.774836 trlgG= -2.475685 logG= -0.690754 TDE= -4.591471 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101058 tlogG= -0.585439 logG= -0.686497 Density= 3.498177 ETOT(band)= -1.771492 trlgG= -2.467181 logG= -0.686497 TDE= -4.587679 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101516 tlogG= -0.581095 logG= -0.682611 Density= 3.499113 ETOT(band)= -1.767694 trlgG= -2.461865 logG= -0.682611 TDE= -4.586999 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101606 tlogG= -0.578964 logG= -0.680570 Density= 3.499266 ETOT(band)= -1.766138 trlgG= -2.458731 logG= -0.680570 TDE= -4.586030 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.100787 tlogG= -0.590412 logG= -0.691198 Density= 3.497312 ETOT(band)= -1.775533 trlgG= -2.476126 logG= -0.691198 TDE= -4.591228 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102484 tlogG= -0.573953 logG= -0.676436 Density= 3.501308 ETOT(band)= -1.760845 trlgG= -2.451720 logG= -0.676436 TDE= -4.584790 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.100890 tlogG= -0.587501 logG= -0.688391 Density= 3.497516 ETOT(band)= -1.773443 trlgG= -2.471548 logG= -0.688391 TDE= -4.589621 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101380 tlogG= -0.582536 logG= -0.683916 Density= 3.498940 ETOT(band)= -1.768813 trlgG= -2.463393 logG= -0.683916 TDE= -4.587084 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100687 tlogG= -0.588377 logG= -0.689064 Density= 3.497182 ETOT(band)= -1.774413 trlgG= -2.471162 logG= -0.689064 TDE= -4.588294 logGD-logG0= -0.100728 tlogG= -0.590541 logG= -0.691269 Density= 3.497102 ETOT(band)= -1.775844 trlgG= -2.476465 logG= -0.691269 TDE= -4.591327 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101207 tlogG= -0.582892 logG= -0.684099 Density= 3.498365 ETOT(band)= -1.769599 trlgG= -2.464238 logG= -0.684099 TDE= -4.587284 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101030 tlogG= -0.585807 logG= -0.686837 Density= 3.498338 ETOT(band)= -1.771584 trlgG= -2.465963 logG= -0.686837 TDE= -4.586250 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101964 tlogG= -0.577563 logG= -0.679527 Density= 3.500092 ETOT(band)= -1.764380 trlgG= -2.457145 logG= -0.679527 TDE= -4.586148 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101872 tlogG= -0.578115 logG= -0.679988 logGD-logG0= -0.101190 tlogG= -0.584620 logG= -0.685810 Density= 3.498292 ETOT(band)= -1.770784 trlgG= -2.467693 logG= -0.685810 TDE= -4.588970 Density= 3.499932 ETOT(band)= -1.764943 trlgG= -2.457517 logG= -0.679988 TDE= -4.585933 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101693 tlogG= -0.578774 logG= -0.680467 Density= 3.499540 ETOT(band)= -1.765757 trlgG= -2.458338 logG= -0.680467 TDE= -4.585959 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102057 tlogG= -0.577392 logG= -0.679450 Density= 3.500377 ETOT(band)= -1.764029 trlgG= -2.456784 logG= -0.679450 TDE= -4.586095 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100728 tlogG= -0.592246 logG= -0.692973 Density= 3.497070 ETOT(band)= -1.776973 trlgG= -2.479762 logG= -0.692973 TDE= -4.592895 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101488 tlogG= -0.582070 logG= -0.683558 Density= 3.499164 ETOT(band)= -1.768279 trlgG= -2.463279 logG= -0.683558 TDE= -4.587507 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100890 tlogG= -0.588268 logG= -0.689158 Density= 3.497596 ETOT(band)= -1.773873 trlgG= -2.472644 logG= -0.689158 TDE= -4.590014 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101075 tlogG= -0.585564 logG= -0.686639 Density= 3.498335 ETOT(band)= -1.771403 trlgG= -2.466711 logG= -0.686639 TDE= -4.587193 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101026 tlogG= -0.587694 logG= -0.688720 Density= 3.497882 ETOT(band)= -1.773194 trlgG= -2.472345 logG= -0.688720 TDE= -4.590382 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102245 tlogG= -0.574837 logG= -0.677082 Density= 3.500714 ETOT(band)= -1.762002 trlgG= -2.452831 logG= -0.677082 TDE= -4.584779 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102013 tlogG= -0.575680 logG= -0.677694 Density= 3.500174 ETOT(band)= -1.763084 trlgG= -2.454103 logG= -0.677694 TDE= -4.585006 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101018 tlogG= -0.587233 logG= -0.688250 Density= 3.497994 ETOT(band)= -1.772783 trlgG= -2.470706 logG= -0.688250 TDE= -4.589304 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101285 tlogG= -0.582969 logG= -0.684254 Density= 3.498781 ETOT(band)= -1.769278 trlgG= -2.463332 logG= -0.684254 TDE= -4.586557 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101059 tlogG= -0.585155 logG= -0.686214 Density= 3.498018 ETOT(band)= -1.771419 trlgG= -2.467860 logG= -0.686214 TDE= -4.588513 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101276 tlogG= -0.584443 logG= -0.685719 Density= 3.498600 ETOT(band)= -1.770370 trlgG= -2.467217 logG= -0.685719 TDE= -4.588832 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101672 tlogG= -0.580448 logG= -0.682120 Density= 3.499480 ETOT(band)= -1.766894 trlgG= -2.461430 logG= -0.682120 TDE= -4.587351 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 Sum of eigenvalues= -1156.49320078998 eV TrLogG= -1610.34664156732 eV Ratio to renormalize= 1.000471376188 rho-rho_expected=-0.079153888277 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 16) Finished k-point number 17 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= 104 12) Finished k-point number 13 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 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= 105 47) Finished k-point number 48 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834569922649710 0.831696400152266 0.834987638075325 0.831608631682539 0.835155517782670 0.831530369470089 0.834820941074683 0.831585838400732 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100656 tlogG= -0.590948 logG= -0.691604 Density= 3.497090 ETOT(band)= -1.776133 trlgG= -2.476515 logG= -0.691604 TDE= -4.591033 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.100796 tlogG= -0.586300 logG= -0.687096 Density= 3.497542 ETOT(band)= -1.772714 trlgG= -2.466887 logG= -0.687096 TDE= -4.586275 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100846 tlogG= -0.588016 logG= -0.688862 Density= 3.497739 ETOT(band)= -1.773585 trlgG= -2.470507 logG= -0.688862 TDE= -4.588288 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101057 tlogG= -0.585434 logG= -0.686491 Density= 3.498175 ETOT(band)= -1.771486 trlgG= -2.467169 logG= -0.686491 TDE= -4.587670 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100932 tlogG= -0.587647 logG= -0.688579 Density= 3.497840 ETOT(band)= -1.773225 trlgG= -2.470738 logG= -0.688579 TDE= -4.588884 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101151 tlogG= -0.584947 logG= -0.686098 Density= 3.498341 ETOT(band)= -1.770955 trlgG= -2.467337 logG= -0.686098 TDE= -4.588365 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100770 tlogG= -0.588800 logG= -0.689570 Density= 3.497377 ETOT(band)= -1.774472 trlgG= -2.472614 logG= -0.689570 TDE= -4.589396 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100878 tlogG= -0.589927 logG= -0.690805 Density= 3.497415 ETOT(band)= -1.775103 trlgG= -2.476023 logG= -0.690805 TDE= -4.591600 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101108 tlogG= -0.583352 logG= -0.684460 Density= 3.498183 ETOT(band)= -1.770113 trlgG= -2.464132 logG= -0.684460 TDE= -4.586672 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100938 tlogG= -0.585653 logG= -0.686591 Density= 3.497712 ETOT(band)= -1.772059 trlgG= -2.468171 logG= -0.686591 TDE= -4.588201 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100571 tlogG= -0.592906 logG= -0.693476 Density= 3.496774 ETOT(band)= -1.777749 trlgG= -2.480451 logG= -0.693476 TDE= -4.592844 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100889 tlogG= -0.587496 logG= -0.688385 Density= 3.497513 ETOT(band)= -1.773437 trlgG= -2.471535 logG= -0.688385 TDE= -4.589613 logGD-logG0= -0.100914 tlogG= -0.591539 logG= -0.692454 Density= 3.497470 ETOT(band)= -1.776098 trlgG= -2.479159 logG= -0.692454 TDE= -4.593132 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101781 tlogG= -0.578290 logG= -0.680071 Density= 3.499651 ETOT(band)= -1.765301 trlgG= -2.457901 logG= -0.680071 TDE= -4.586007 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101206 tlogG= -0.582887 logG= -0.684093 Density= 3.498362 ETOT(band)= -1.769592 trlgG= -2.464225 logG= -0.684093 TDE= -4.587275 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101605 tlogG= -0.578959 logG= -0.680565 Density= 3.499264 ETOT(band)= -1.766131 trlgG= -2.458718 logG= -0.680565 TDE= -4.586021 logGD-logG0= -0.100930 tlogG= -0.589819 logG= -0.690748 Density= 3.497608 ETOT(band)= -1.774830 trlgG= -2.475673 logG= -0.690748 TDE= -4.591463 logGD-logG0= -0.102056 tlogG= -0.577388 logG= -0.679444 Density= 3.500375 ETOT(band)= -1.764022 trlgG= -2.456772 logG= -0.679444 TDE= -4.586086 logGD-logG0= -0.101515 tlogG= -0.581090 logG= -0.682605 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Density= 3.499111 ETOT(band)= -1.767687 trlgG= -2.461852 logG= -0.682605 TDE= -4.586990 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101366 tlogG= -0.581681 logG= -0.683047 Density= 3.498802 ETOT(band)= -1.768395 trlgG= -2.462337 logG= -0.683047 TDE= -4.586785 logGD-logG0= -0.101322 tlogG= -0.582383 logG= -0.683704 Density= 3.498605 ETOT(band)= -1.768995 trlgG= -2.464089 logG= -0.683704 TDE= -4.587722 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102483 tlogG= -0.573948 logG= -0.676430 Density= 3.501305 ETOT(band)= -1.760838 trlgG= -2.451707 logG= -0.676430 TDE= -4.584782 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101487 tlogG= -0.582065 logG= -0.683552 Density= 3.499162 ETOT(band)= -1.768272 trlgG= -2.463266 logG= -0.683552 TDE= -4.587498 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101275 tlogG= -0.584438 logG= -0.685713 Density= 3.498598 ETOT(band)= -1.770363 trlgG= -2.467205 logG= -0.685713 TDE= -4.588824 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100957 tlogG= -0.585655 logG= -0.686612 Density= 3.497829 ETOT(band)= -1.771979 trlgG= -2.467602 logG= -0.686612 TDE= -4.587705 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101284 tlogG= -0.582964 logG= -0.684248 Density= 3.498779 ETOT(band)= -1.769271 trlgG= -2.463319 logG= -0.684248 TDE= -4.586548 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101029 tlogG= -0.585802 logG= -0.686831 Density= 3.498336 ETOT(band)= -1.771577 trlgG= -2.465951 logG= -0.686831 TDE= -4.586242 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100686 tlogG= -0.588372 logG= -0.689058 Density= 3.497180 ETOT(band)= -1.774406 trlgG= -2.471149 logG= -0.689058 TDE= -4.588286 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101379 tlogG= -0.582531 logG= -0.683910 Density= 3.498938 ETOT(band)= -1.768807 trlgG= -2.463380 logG= -0.683910 TDE= -4.587075 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100785 tlogG= -0.587962 logG= -0.688747 Density= 3.497323 ETOT(band)= -1.773968 trlgG= -2.471597 logG= -0.688747 TDE= -4.589159 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101058 tlogG= -0.585150 logG= -0.686208 Density= 3.498016 ETOT(band)= -1.771412 trlgG= -2.467847 logG= -0.686208 TDE= -4.588504 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101025 tlogG= -0.587690 logG= -0.688715 Density= 3.497880 ETOT(band)= -1.773187 trlgG= -2.472333 logG= -0.688715 TDE= -4.590374 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101692 tlogG= -0.578769 logG= -0.680461 Density= 3.499537 ETOT(band)= -1.765750 trlgG= -2.458325 logG= -0.680461 TDE= -4.585950 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.100727 tlogG= -0.592241 logG= -0.692968 Density= 3.497067 ETOT(band)= -1.776966 trlgG= -2.479750 logG= -0.692968 TDE= -4.592886 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100727 tlogG= -0.590536 logG= -0.691264 Density= 3.497099 ETOT(band)= -1.775837 trlgG= -2.476453 logG= -0.691264 TDE= -4.591319 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101016 tlogG= -0.587228 logG= -0.688245 Density= 3.497992 ETOT(band)= -1.772777 trlgG= -2.470694 logG= -0.688245 TDE= -4.589295 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100786 tlogG= -0.590407 logG= -0.691193 Density= 3.497310 ETOT(band)= -1.775526 trlgG= -2.476114 logG= -0.691193 TDE= -4.591220 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101138 tlogG= -0.585268 logG= -0.686406 Density= 3.498386 ETOT(band)= -1.771129 trlgG= -2.467036 logG= -0.686406 TDE= -4.587792 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101963 tlogG= -0.577558 logG= -0.679521 Density= 3.500090 ETOT(band)= -1.764373 trlgG= -2.457132 logG= -0.679521 TDE= -4.586140 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102012 tlogG= -0.575676 logG= -0.677688 Density= 3.500172 ETOT(band)= -1.763077 trlgG= -2.454090 logG= -0.677688 TDE= -4.584997 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101074 tlogG= -0.585559 logG= -0.686633 Density= 3.498333 ETOT(band)= -1.771396 trlgG= -2.466698 logG= -0.686633 TDE= -4.587184 logGD-logG0= -0.101671 tlogG= -0.580443 logG= -0.682114 Density= 3.499478 ETOT(band)= -1.766887 trlgG= -2.461418 logG= -0.682114 TDE= -4.587342 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102244 tlogG= -0.574832 logG= -0.677076 Density= 3.500712 ETOT(band)= -1.761995 trlgG= -2.452819 logG= -0.677076 TDE= -4.584771 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.100588 tlogG= -0.591098 logG= -0.691686 Density= 3.496864 ETOT(band)= -1.776480 trlgG= -2.476782 logG= -0.691686 TDE= -4.591037 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100862 tlogG= -0.586003 logG= -0.686865 Density= 3.497591 ETOT(band)= -1.772432 trlgG= -2.467930 logG= -0.686865 TDE= -4.587589 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101871 tlogG= -0.578111 logG= -0.679982 Density= 3.499930 ETOT(band)= -1.764936 trlgG= -2.457505 logG= -0.679982 TDE= -4.585924 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101189 tlogG= -0.584615 logG= -0.685805 Density= 3.498290 ETOT(band)= -1.770777 trlgG= -2.467680 logG= -0.685805 TDE= -4.588961 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100889 tlogG= -0.588263 logG= -0.689152 Density= 3.497593 ETOT(band)= -1.773866 trlgG= -2.472631 logG= -0.689152 TDE= -4.590005 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.48882053987 eV TrLogG= -1610.33724937241 eV Ratio to renormalize= 1.000472045216 rho-rho_expected=-0.079266179033 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 0) Finished k-point number 1 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= 0.834582427955626 0.831709295119871 0.835000146408709 0.831621524590860 0.835167957927974 0.831543291819622 0.834833497291987 0.831598725993272 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100920 tlogG= -0.591525 logG= -0.692445 Density= 3.497483 ETOT(band)= -1.776099 trlgG= -2.479149 logG= -0.692445 TDE= -4.593141 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=133 logGD-logG0= -0.100775 tlogG= -0.588787 logG= -0.689562 Density= 3.497390 ETOT(band)= -1.774473 trlgG= -2.472607 logG= -0.689562 TDE= -4.589408 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101371 tlogG= -0.581668 logG= -0.683039 Density= 3.498814 ETOT(band)= -1.768396 trlgG= -2.462332 logG= -0.683039 TDE= -4.586799 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100884 tlogG= -0.589913 logG= -0.690797 Density= 3.497428 ETOT(band)= -1.775104 trlgG= -2.476013 logG= -0.690797 TDE= -4.591610 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.100937 tlogG= -0.587633 logG= -0.688570 Density= 3.497853 ETOT(band)= -1.773225 trlgG= -2.470731 logG= -0.688570 TDE= -4.588896 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100801 tlogG= -0.586286 logG= -0.687088 Density= 3.497554 ETOT(band)= -1.772716 trlgG= -2.466881 logG= -0.687088 TDE= -4.586288 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100963 tlogG= -0.585642 logG= -0.686604 Density= 3.497842 ETOT(band)= -1.771980 trlgG= -2.467597 logG= -0.686604 TDE= -4.587718 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100576 tlogG= -0.592891 logG= -0.693467 Density= 3.496787 ETOT(band)= -1.777750 trlgG= -2.480444 logG= -0.693467 TDE= -4.592855 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100661 tlogG= -0.590934 logG= -0.691595 Density= 3.497103 ETOT(band)= -1.776133 trlgG= -2.476508 logG= -0.691595 TDE= -4.591045 logGD-logG0= -0.100894 tlogG= -0.587482 logG= -0.688376 Density= 3.497526 ETOT(band)= -1.773437 trlgG= -2.471529 logG= -0.688376 TDE= -4.589625 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101520 tlogG= -0.581076 logG= -0.682597 Density= 3.499124 ETOT(band)= -1.767688 trlgG= -2.461846 logG= -0.682597 TDE= -4.587003 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101611 tlogG= -0.578946 logG= -0.680556 Density= 3.499277 ETOT(band)= -1.766132 trlgG= -2.458714 logG= -0.680556 TDE= -4.586034 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100732 tlogG= -0.590522 logG= -0.691255 Density= 3.497112 ETOT(band)= -1.775838 trlgG= -2.476445 logG= -0.691255 TDE= -4.591330 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100851 tlogG= -0.588003 logG= -0.688854 Density= 3.497752 ETOT(band)= -1.773586 trlgG= -2.470500 logG= -0.688854 TDE= -4.588299 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101280 tlogG= -0.584424 logG= -0.685705 Density= 3.498611 ETOT(band)= -1.770364 trlgG= -2.467198 logG= -0.685705 TDE= -4.588836 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100732 tlogG= -0.592227 logG= -0.692959 Density= 3.497080 ETOT(band)= -1.776967 trlgG= -2.479741 logG= -0.692959 TDE= -4.592897 logGD-logG0= -0.101786 tlogG= -0.578277 logG= -0.680063 Density= 3.499664 ETOT(band)= -1.765302 trlgG= -2.457894 logG= -0.680063 TDE= -4.586019 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101062 tlogG= -0.585421 logG= -0.686483 Density= 3.498188 ETOT(band)= -1.771487 trlgG= -2.467163 logG= -0.686483 TDE= -4.587683 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.102018 tlogG= -0.575662 logG= -0.677680 Density= 3.500185 ETOT(band)= -1.763078 trlgG= -2.454085 logG= -0.677680 TDE= -4.585010 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101876 tlogG= -0.578097 logG= -0.679973 Density= 3.499943 ETOT(band)= -1.764937 trlgG= -2.457498 logG= -0.679973 TDE= -4.585936 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.100943 tlogG= -0.585639 logG= -0.686583 Density= 3.497725 ETOT(band)= -1.772060 trlgG= -2.468165 logG= -0.686583 TDE= -4.588214 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101114 tlogG= -0.583338 logG= -0.684452 Density= 3.498196 ETOT(band)= -1.770114 trlgG= -2.464127 logG= -0.684452 TDE= -4.586685 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.100593 tlogG= -0.591084 logG= -0.691677 Density= 3.496877 ETOT(band)= -1.776481 trlgG= -2.476775 logG= -0.691677 TDE= -4.591048 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100691 tlogG= -0.588358 logG= -0.689049 Density= 3.497193 ETOT(band)= -1.774407 trlgG= -2.471143 logG= -0.689049 TDE= -4.588298 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102488 tlogG= -0.573934 logG= -0.676422 Density= 3.501318 ETOT(band)= -1.760839 trlgG= -2.451700 logG= -0.676422 TDE= -4.584793 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.100935 tlogG= -0.589805 logG= -0.690740 Density= 3.497621 ETOT(band)= -1.774830 trlgG= -2.475664 logG= -0.690740 TDE= -4.591473 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101969 tlogG= -0.577544 logG= -0.679513 Density= 3.500102 ETOT(band)= -1.764374 trlgG= -2.457125 logG= -0.679513 TDE= -4.586151 logGD-logG0= -0.102062 tlogG= -0.577374 logG= -0.679436 Density= 3.500388 ETOT(band)= -1.764023 trlgG= -2.456765 logG= -0.679436 TDE= -4.586098 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101156 tlogG= -0.584934 logG= -0.686090 Density= 3.498354 ETOT(band)= -1.770956 trlgG= -2.467331 logG= -0.686090 TDE= -4.588378 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101034 tlogG= -0.585789 logG= -0.686823 Density= 3.498349 ETOT(band)= -1.771578 trlgG= -2.465946 logG= -0.686823 TDE= -4.586255 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100867 tlogG= -0.585989 logG= -0.686856 Density= 3.497604 ETOT(band)= -1.772434 trlgG= -2.467924 logG= -0.686856 TDE= -4.587602 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.101290 tlogG= -0.582950 logG= -0.684240 Density= 3.498792 ETOT(band)= -1.769273 trlgG= -2.463314 logG= -0.684240 TDE= -4.586562 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101195 tlogG= -0.584601 logG= -0.685796 Density= 3.498303 ETOT(band)= -1.770778 trlgG= -2.467674 logG= -0.685796 TDE= -4.588974 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100790 tlogG= -0.587948 logG= -0.688738 logGD-logG0= -0.101493 tlogG= -0.582051 logG= -0.683544 Density= 3.497336 ETOT(band)= -1.773969 trlgG= -2.471591 logG= -0.688738 TDE= -4.589172 Density= 3.499175 ETOT(band)= -1.768273 trlgG= -2.463260 logG= -0.683544 TDE= -4.587511 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101080 tlogG= -0.585545 logG= -0.686625 Density= 3.498345 ETOT(band)= -1.771397 trlgG= -2.466693 logG= -0.686625 TDE= -4.587198 logGD-logG0= -0.101143 tlogG= -0.585255 logG= -0.686398 Density= 3.498399 ETOT(band)= -1.771130 trlgG= -2.467031 logG= -0.686398 TDE= -4.587805 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100894 tlogG= -0.588249 logG= -0.689143 Density= 3.497606 ETOT(band)= -1.773867 trlgG= -2.472625 logG= -0.689143 TDE= -4.590018 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101327 tlogG= -0.582369 logG= -0.683696 Density= 3.498618 ETOT(band)= -1.768996 trlgG= -2.464083 logG= -0.683696 TDE= -4.587735 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100791 tlogG= -0.590393 logG= -0.691184 Density= 3.497323 ETOT(band)= -1.775527 trlgG= -2.476106 logG= -0.691184 TDE= -4.591231 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101212 tlogG= -0.582873 logG= -0.684085 Density= 3.498375 ETOT(band)= -1.769594 trlgG= -2.464219 logG= -0.684085 TDE= -4.587288 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101030 tlogG= -0.587676 logG= -0.688706 Density= 3.497893 ETOT(band)= -1.773188 trlgG= -2.472326 logG= -0.688706 TDE= -4.590386 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102250 tlogG= -0.574818 logG= -0.677068 Density= 3.500725 ETOT(band)= -1.761996 trlgG= -2.452812 logG= -0.677068 TDE= -4.584783 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101063 tlogG= -0.585136 logG= -0.686200 Density= 3.498029 ETOT(band)= -1.771413 trlgG= -2.467841 logG= -0.686200 TDE= -4.588517 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101022 tlogG= -0.587214 logG= -0.688236 Density= 3.498005 ETOT(band)= -1.772778 trlgG= -2.470687 logG= -0.688236 TDE= -4.589307 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101698 tlogG= -0.578755 logG= -0.680453 Density= 3.499550 ETOT(band)= -1.765752 trlgG= -2.458320 logG= -0.680453 TDE= -4.585964 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101676 tlogG= -0.580429 logG= -0.682106 Density= 3.499491 ETOT(band)= -1.766888 trlgG= -2.461411 logG= -0.682106 TDE= -4.587354 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101385 tlogG= -0.582517 logG= -0.683902 Density= 3.498950 ETOT(band)= -1.768808 trlgG= -2.463374 logG= -0.683902 TDE= -4.587087 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.48947734401 eV TrLogG= -1610.33976392581 eV Ratio to renormalize= 1.000468355515 rho-rho_expected=-0.078646891894 nargs= 1 argi=dmft2.def 23) Finished k-point number 24 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 42) Finished k-point number 43 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= 0.834585355924112 0.831712339266113 0.835003071807110 0.831624572315911 0.835170861550247 0.831546351399507 0.834836423538670 0.831601778800927 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100803 tlogG= -0.586283 logG= -0.687086 Density= 3.497558 ETOT(band)= -1.772717 trlgG= -2.466881 logG= -0.687086 TDE= -4.586293 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100663 tlogG= -0.590931 logG= -0.691593 Density= 3.497106 ETOT(band)= -1.776135 trlgG= -2.476507 logG= -0.691593 TDE= -4.591049 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.100577 tlogG= -0.592888 logG= -0.693465 Density= 3.496790 ETOT(band)= -1.777751 trlgG= -2.480443 logG= -0.693465 TDE= -4.592859 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100885 tlogG= -0.589909 logG= -0.690794 Density= 3.497431 ETOT(band)= -1.775105 trlgG= -2.476012 logG= -0.690794 TDE= -4.591614 logGD-logG0= -0.100939 tlogG= -0.587630 logG= -0.688568 Density= 3.497857 ETOT(band)= -1.773227 trlgG= -2.470731 logG= -0.688568 TDE= -4.588900 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101064 tlogG= -0.585417 logG= -0.686481 Density= 3.498191 ETOT(band)= -1.771488 trlgG= -2.467163 logG= -0.686481 TDE= -4.587688 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101788 tlogG= -0.578273 logG= -0.680061 Density= 3.499667 ETOT(band)= -1.765304 trlgG= -2.457894 logG= -0.680061 TDE= -4.586023 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101970 tlogG= -0.577541 logG= -0.679511 Density= 3.500106 ETOT(band)= -1.764375 trlgG= -2.457124 logG= -0.679511 TDE= -4.586156 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100921 tlogG= -0.591522 logG= -0.692443 Density= 3.497487 ETOT(band)= -1.776100 trlgG= -2.479147 logG= -0.692443 TDE= -4.593145 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=133 logGD-logG0= -0.101612 tlogG= -0.578942 logG= -0.680554 Density= 3.499281 ETOT(band)= -1.766134 trlgG= -2.458714 logG= -0.680554 TDE= -4.586039 logGD-logG0= -0.101158 tlogG= -0.584930 logG= -0.686088 Density= 3.498358 ETOT(band)= -1.770957 trlgG= -2.467331 logG= -0.686088 TDE= -4.588382 logGD-logG0= -0.100937 tlogG= -0.589801 logG= -0.690738 Density= 3.497625 ETOT(band)= -1.774832 trlgG= -2.475663 logG= -0.690738 TDE= -4.591477 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100853 tlogG= -0.587999 logG= -0.688852 Density= 3.497756 ETOT(band)= -1.773588 trlgG= -2.470500 logG= -0.688852 TDE= -4.588304 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101522 tlogG= -0.581073 logG= -0.682595 Density= 3.499127 ETOT(band)= -1.767689 trlgG= -2.461845 logG= -0.682595 TDE= -4.587007 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101329 tlogG= -0.582365 logG= -0.683694 Density= 3.498621 ETOT(band)= -1.768997 trlgG= -2.464082 logG= -0.683694 TDE= -4.587739 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100964 tlogG= -0.585638 logG= -0.686602 Density= 3.497845 ETOT(band)= -1.771982 trlgG= -2.467597 logG= -0.686602 TDE= -4.587723 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100945 tlogG= -0.585636 logG= -0.686581 Density= 3.497729 ETOT(band)= -1.772061 trlgG= -2.468165 logG= -0.686581 TDE= -4.588219 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100896 tlogG= -0.587478 logG= -0.688374 Density= 3.497530 ETOT(band)= -1.773439 trlgG= -2.471529 logG= -0.688374 TDE= -4.589630 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101373 tlogG= -0.581664 logG= -0.683037 Density= 3.498818 ETOT(band)= -1.768398 trlgG= -2.462332 logG= -0.683037 TDE= -4.586804 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101494 tlogG= -0.582048 logG= -0.683542 Density= 3.499178 ETOT(band)= -1.768275 trlgG= -2.463260 logG= -0.683542 TDE= -4.587516 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100734 tlogG= -0.590519 logG= -0.691253 Density= 3.497116 ETOT(band)= -1.775839 trlgG= -2.476444 logG= -0.691253 TDE= -4.591334 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100595 tlogG= -0.591081 logG= -0.691675 Density= 3.496880 ETOT(band)= -1.776482 trlgG= -2.476774 logG= -0.691675 TDE= -4.591053 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101036 tlogG= -0.585785 logG= -0.686821 Density= 3.498352 ETOT(band)= -1.771580 trlgG= -2.465946 logG= -0.686821 TDE= -4.586260 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102063 tlogG= -0.577370 logG= -0.679434 Density= 3.500392 ETOT(band)= -1.764024 trlgG= -2.456764 logG= -0.679434 TDE= -4.586102 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100777 tlogG= -0.588783 logG= -0.689560 Density= 3.497394 ETOT(band)= -1.774474 trlgG= -2.472607 logG= -0.689560 TDE= -4.589413 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101196 tlogG= -0.584598 logG= -0.685794 Density= 3.498307 ETOT(band)= -1.770779 trlgG= -2.467674 logG= -0.685794 TDE= -4.588978 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101678 tlogG= -0.580426 logG= -0.682104 Density= 3.499495 ETOT(band)= -1.766889 trlgG= -2.461411 logG= -0.682104 TDE= -4.587359 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.100869 tlogG= -0.585986 logG= -0.686854 Density= 3.497607 ETOT(band)= -1.772435 trlgG= -2.467924 logG= -0.686854 TDE= -4.587607 logGD-logG0= -0.101291 tlogG= -0.582947 logG= -0.684238 Density= 3.498795 ETOT(band)= -1.769274 trlgG= -2.463314 logG= -0.684238 TDE= -4.586567 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102019 tlogG= -0.575658 logG= -0.677678 Density= 3.500188 ETOT(band)= -1.763079 trlgG= -2.454085 logG= -0.677678 TDE= -4.585015 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101115 tlogG= -0.583335 logG= -0.684450 Density= 3.498200 ETOT(band)= -1.770116 trlgG= -2.464127 logG= -0.684450 TDE= -4.586690 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102251 tlogG= -0.574815 logG= -0.677066 Density= 3.500729 ETOT(band)= -1.761998 trlgG= -2.452812 logG= -0.677066 TDE= -4.584788 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.100896 tlogG= -0.588246 logG= -0.689141 Density= 3.497610 ETOT(band)= -1.773868 trlgG= -2.472625 logG= -0.689141 TDE= -4.590023 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101386 tlogG= -0.582514 logG= -0.683900 Density= 3.498954 ETOT(band)= -1.768809 trlgG= -2.463374 logG= -0.683900 TDE= -4.587092 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100793 tlogG= -0.590389 logG= -0.691182 Density= 3.497326 ETOT(band)= -1.775528 trlgG= -2.476105 logG= -0.691182 TDE= -4.591235 logGD-logG0= -0.101282 tlogG= -0.584420 logG= -0.685702 Density= 3.498614 ETOT(band)= -1.770365 trlgG= -2.467198 logG= -0.685702 TDE= -4.588841 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101878 tlogG= -0.578093 logG= -0.679971 Density= 3.499946 ETOT(band)= -1.764938 trlgG= -2.457497 logG= -0.679971 TDE= -4.585940 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102490 tlogG= -0.573930 logG= -0.676420 Density= 3.501322 ETOT(band)= -1.760841 trlgG= -2.451699 logG= -0.676420 TDE= -4.584798 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.100734 tlogG= -0.592223 logG= -0.692957 Density= 3.497084 ETOT(band)= -1.776968 trlgG= -2.479740 logG= -0.692957 TDE= -4.592901 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101023 tlogG= -0.587211 logG= -0.688234 Density= 3.498009 ETOT(band)= -1.772779 trlgG= -2.470687 logG= -0.688234 TDE= -4.589312 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101213 tlogG= -0.582870 logG= -0.684083 Density= 3.498379 ETOT(band)= -1.769595 trlgG= -2.464219 logG= -0.684083 TDE= -4.587292 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101065 tlogG= -0.585133 logG= -0.686197 Density= 3.498032 ETOT(band)= -1.771415 trlgG= -2.467841 logG= -0.686197 TDE= -4.588522 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100792 tlogG= -0.587945 logG= -0.688736 Density= 3.497339 ETOT(band)= -1.773970 trlgG= -2.471590 logG= -0.688736 TDE= -4.589176 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101081 tlogG= -0.585542 logG= -0.686623 Density= 3.498349 ETOT(band)= -1.771399 trlgG= -2.466693 logG= -0.686623 TDE= -4.587203 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101699 tlogG= -0.578752 logG= -0.680451 Density= 3.499554 ETOT(band)= -1.765753 trlgG= -2.458320 logG= -0.680451 TDE= -4.585969 logGD-logG0= -0.100693 tlogG= -0.588355 logG= -0.689047 Density= 3.497196 ETOT(band)= -1.774409 trlgG= -2.471143 logG= -0.689047 TDE= -4.588303 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101145 tlogG= -0.585251 logG= -0.686396 Density= 3.498402 ETOT(band)= -1.771131 trlgG= -2.467030 logG= -0.686396 TDE= -4.587810 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101032 tlogG= -0.587672 logG= -0.688704 Density= 3.497896 ETOT(band)= -1.773189 trlgG= -2.472326 logG= -0.688704 TDE= -4.590391 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.49034043165 eV TrLogG= -1610.34141050405 eV Ratio to renormalize= 1.000467297586 rho-rho_expected=-0.078469325952 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 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= 105 31) Finished k-point number 32 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 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= 105 21) Finished k-point number 22 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 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 29) Finished k-point number 30 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 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= 105 46) Finished k-point number 47 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834601421648789 0.831728828101438 0.835019114873524 0.831641088991001 0.835186773286700 0.831562921163387 0.834852481883751 0.831618299858948 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101796 tlogG= -0.578264 logG= -0.680060 Density= 3.499688 ETOT(band)= -1.765314 trlgG= -2.457904 logG= -0.680060 TDE= -4.586051 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.100947 tlogG= -0.587621 logG= -0.688568 Density= 3.497878 ETOT(band)= -1.773238 trlgG= -2.470743 logG= -0.688568 TDE= -4.588929 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100603 tlogG= -0.591071 logG= -0.691675 Density= 3.496901 ETOT(band)= -1.776493 trlgG= -2.476784 logG= -0.691675 TDE= -4.591080 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.100812 tlogG= -0.586274 logG= -0.687086 Density= 3.497579 ETOT(band)= -1.772728 trlgG= -2.466893 logG= -0.687086 TDE= -4.586322 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101621 tlogG= -0.578933 logG= -0.680554 Density= 3.499302 ETOT(band)= -1.766144 trlgG= -2.458728 logG= -0.680554 TDE= -4.586071 logGD-logG0= -0.101167 tlogG= -0.584921 logG= -0.686088 Density= 3.498379 ETOT(band)= -1.770968 trlgG= -2.467343 logG= -0.686088 TDE= -4.588412 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100586 tlogG= -0.592879 logG= -0.693465 Density= 3.496811 ETOT(band)= -1.777761 trlgG= -2.480453 logG= -0.693465 TDE= -4.592886 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101381 tlogG= -0.581655 logG= -0.683036 Density= 3.498839 ETOT(band)= -1.768408 trlgG= -2.462346 logG= -0.683036 TDE= -4.586835 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101291 tlogG= -0.584411 logG= -0.685702 Density= 3.498635 ETOT(band)= -1.770375 trlgG= -2.467210 logG= -0.685702 TDE= -4.588870 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101073 tlogG= -0.585124 logG= -0.686197 Density= 3.498053 ETOT(band)= -1.771425 trlgG= -2.467853 logG= -0.686197 TDE= -4.588551 logGD-logG0= -0.100973 tlogG= -0.585629 logG= -0.686602 Density= 3.497866 ETOT(band)= -1.771992 trlgG= -2.467610 logG= -0.686602 TDE= -4.587753 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100671 tlogG= -0.590922 logG= -0.691593 Density= 3.497127 ETOT(band)= -1.776145 trlgG= -2.476517 logG= -0.691593 TDE= -4.591076 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101124 tlogG= -0.583326 logG= -0.684449 Density= 3.498221 ETOT(band)= -1.770127 trlgG= -2.464142 logG= -0.684449 TDE= -4.586722 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101044 tlogG= -0.585777 logG= -0.686821 Density= 3.498373 ETOT(band)= -1.771591 trlgG= -2.465959 logG= -0.686821 TDE= -4.586290 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100894 tlogG= -0.589900 logG= -0.690794 Density= 3.497452 ETOT(band)= -1.775115 trlgG= -2.476020 logG= -0.690794 TDE= -4.591639 logGD-logG0= -0.100904 tlogG= -0.587469 logG= -0.688374 Density= 3.497551 ETOT(band)= -1.773449 trlgG= -2.471540 logG= -0.688374 TDE= -4.589659 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100953 tlogG= -0.585627 logG= -0.686580 Density= 3.497749 ETOT(band)= -1.772072 trlgG= -2.468177 logG= -0.686580 TDE= -4.588248 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101072 tlogG= -0.585408 logG= -0.686480 Density= 3.498212 ETOT(band)= -1.771499 trlgG= -2.467176 logG= -0.686480 TDE= -4.587718 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101300 tlogG= -0.582938 logG= -0.684238 Density= 3.498816 ETOT(band)= -1.769285 trlgG= -2.463329 logG= -0.684238 TDE= -4.586598 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100800 tlogG= -0.587936 logG= -0.688736 Density= 3.497360 ETOT(band)= -1.773981 trlgG= -2.471602 logG= -0.688736 TDE= -4.589205 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=142 logGD-logG0= -0.100862 tlogG= -0.587990 logG= -0.688852 Density= 3.497776 ETOT(band)= -1.773598 trlgG= -2.470511 logG= -0.688852 TDE= -4.588332 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101090 tlogG= -0.585533 logG= -0.686623 Density= 3.498370 ETOT(band)= -1.771409 trlgG= -2.466707 logG= -0.686623 TDE= -4.587233 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100801 tlogG= -0.590380 logG= -0.691181 Density= 3.497347 ETOT(band)= -1.775539 trlgG= -2.476114 logG= -0.691181 TDE= -4.591261 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100930 tlogG= -0.591512 logG= -0.692442 Density= 3.497508 ETOT(band)= -1.776110 trlgG= -2.479153 logG= -0.692442 TDE= -4.593169 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.102498 tlogG= -0.573921 logG= -0.676419 Density= 3.501343 ETOT(band)= -1.760851 trlgG= -2.451709 logG= -0.676419 TDE= -4.584825 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101041 tlogG= -0.587663 logG= -0.688703 Density= 3.497917 ETOT(band)= -1.773199 trlgG= -2.472337 logG= -0.688703 TDE= -4.590420 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100904 tlogG= -0.588237 logG= -0.689141 Density= 3.497631 ETOT(band)= -1.773879 trlgG= -2.472636 logG= -0.689141 TDE= -4.590052 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101503 tlogG= -0.582039 logG= -0.683542 Density= 3.499199 ETOT(band)= -1.768285 trlgG= -2.463272 logG= -0.683542 TDE= -4.587545 logGD-logG0= -0.101205 tlogG= -0.584588 logG= -0.685793 Density= 3.498328 ETOT(band)= -1.770790 trlgG= -2.467686 logG= -0.685793 TDE= -4.589008 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101531 tlogG= -0.581063 logG= -0.682594 Density= 3.499148 ETOT(band)= -1.767700 trlgG= -2.461857 logG= -0.682594 TDE= -4.587036 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101153 tlogG= -0.585242 logG= -0.686396 Density= 3.498423 ETOT(band)= -1.771142 trlgG= -2.467044 logG= -0.686396 TDE= -4.587840 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100742 tlogG= -0.592214 logG= -0.692956 Density= 3.497105 ETOT(band)= -1.776978 trlgG= -2.479748 logG= -0.692956 TDE= -4.592926 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102072 tlogG= -0.577361 logG= -0.679433 Density= 3.500413 ETOT(band)= -1.764035 trlgG= -2.456775 logG= -0.679433 TDE= -4.586130 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101687 tlogG= -0.580416 logG= -0.682103 Density= 3.499516 ETOT(band)= -1.766900 trlgG= -2.461423 logG= -0.682103 TDE= -4.587388 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.100743 tlogG= -0.590510 logG= -0.691252 Density= 3.497137 ETOT(band)= -1.775850 trlgG= -2.476452 logG= -0.691252 TDE= -4.591360 logGD-logG0= -0.102260 tlogG= -0.574805 logG= -0.677065 Density= 3.500750 ETOT(band)= -1.762008 trlgG= -2.452823 logG= -0.677065 TDE= -4.584816 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101395 tlogG= -0.582505 logG= -0.683900 Density= 3.498975 ETOT(band)= -1.768820 trlgG= -2.463387 logG= -0.683900 TDE= -4.587122 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100945 tlogG= -0.589792 logG= -0.690737 Density= 3.497646 ETOT(band)= -1.774842 trlgG= -2.475671 logG= -0.690737 TDE= -4.591502 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100701 tlogG= -0.588346 logG= -0.689047 Density= 3.497217 ETOT(band)= -1.774419 trlgG= -2.471154 logG= -0.689047 TDE= -4.588331 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101887 tlogG= -0.578084 logG= -0.679971 Density= 3.499967 ETOT(band)= -1.764949 trlgG= -2.457508 logG= -0.679971 TDE= -4.585968 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101337 tlogG= -0.582356 logG= -0.683693 Density= 3.498642 ETOT(band)= -1.769007 trlgG= -2.464094 logG= -0.683693 TDE= -4.587769 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100785 tlogG= -0.588774 logG= -0.689559 Density= 3.497415 ETOT(band)= -1.774484 trlgG= -2.472619 logG= -0.689559 TDE= -4.589442 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102028 tlogG= -0.575649 logG= -0.677677 Density= 3.500209 ETOT(band)= -1.763090 trlgG= -2.454099 logG= -0.677677 TDE= -4.585047 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101979 tlogG= -0.577531 logG= -0.679510 Density= 3.500127 ETOT(band)= -1.764386 trlgG= -2.457135 logG= -0.679510 TDE= -4.586184 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101032 tlogG= -0.587202 logG= -0.688234 Density= 3.498030 ETOT(band)= -1.772789 trlgG= -2.470698 logG= -0.688234 TDE= -4.589341 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101708 tlogG= -0.578743 logG= -0.680451 Density= 3.499575 ETOT(band)= -1.765764 trlgG= -2.458334 logG= -0.680451 TDE= -4.586000 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101222 tlogG= -0.582861 logG= -0.684082 Density= 3.498400 ETOT(band)= -1.769606 trlgG= -2.464231 logG= -0.684082 TDE= -4.587322 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100877 tlogG= -0.585977 logG= -0.686854 Density= 3.497628 ETOT(band)= -1.772446 trlgG= -2.467936 logG= -0.686854 TDE= -4.587636 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 Sum of eigenvalues= -1156.49721395221 eV TrLogG= -1610.35992015399 eV Ratio to renormalize= 1.000461305605 rho-rho_expected=-0.077463607214 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 4) Finished k-point number 5 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 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834553405250869 0.831679729287397 0.834971286006171 0.831591867601475 0.835139173466554 0.831513621443829 0.834804427081741 0.831569127957913 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100579 tlogG= -0.591105 logG= -0.691684 Density= 3.496842 ETOT(band)= -1.776465 trlgG= -2.476766 logG= -0.691684 TDE= -4.591005 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100562 tlogG= -0.592913 logG= -0.693475 Density= 3.496752 ETOT(band)= -1.777735 trlgG= -2.480435 logG= -0.693475 TDE= -4.592811 logGD-logG0= -0.100923 tlogG= -0.587654 logG= -0.688577 Density= 3.497819 ETOT(band)= -1.773210 trlgG= -2.470720 logG= -0.688577 TDE= -4.588850 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100869 tlogG= -0.589934 logG= -0.690804 Density= 3.497393 ETOT(band)= -1.775089 trlgG= -2.476009 logG= -0.690804 TDE= -4.591570 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101506 tlogG= -0.581097 logG= -0.682603 Density= 3.499089 ETOT(band)= -1.767672 trlgG= -2.461834 logG= -0.682603 TDE= -4.586956 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101596 tlogG= -0.578966 logG= -0.680563 Density= 3.499242 ETOT(band)= -1.766116 trlgG= -2.458698 logG= -0.680563 TDE= -4.585984 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101065 tlogG= -0.585566 logG= -0.686631 Density= 3.498311 ETOT(band)= -1.771381 trlgG= -2.466678 logG= -0.686631 TDE= -4.587149 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101048 tlogG= -0.585441 logG= -0.686489 Density= 3.498153 ETOT(band)= -1.771471 trlgG= -2.467149 logG= -0.686489 TDE= -4.587635 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100906 tlogG= -0.591547 logG= -0.692453 Density= 3.497448 ETOT(band)= -1.776084 trlgG= -2.479147 logG= -0.692453 TDE= -4.593103 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.100787 tlogG= -0.586307 logG= -0.687094 Density= 3.497520 ETOT(band)= -1.772699 trlgG= -2.466868 logG= -0.687094 TDE= -4.586241 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101129 tlogG= -0.585275 logG= -0.686404 Density= 3.498364 ETOT(band)= -1.771114 trlgG= -2.467016 logG= -0.686404 TDE= -4.587756 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101772 tlogG= -0.578298 logG= -0.680069 Density= 3.499629 ETOT(band)= -1.765286 trlgG= -2.457884 logG= -0.680069 TDE= -4.585974 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100718 tlogG= -0.592249 logG= -0.692966 Density= 3.497045 ETOT(band)= -1.776952 trlgG= -2.479736 logG= -0.692966 TDE= -4.592856 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101357 tlogG= -0.581688 logG= -0.683045 Density= 3.498780 ETOT(band)= -1.768380 trlgG= -2.462316 logG= -0.683045 TDE= -4.586749 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100880 tlogG= -0.587503 logG= -0.688383 Density= 3.497492 ETOT(band)= -1.773422 trlgG= -2.471517 logG= -0.688383 TDE= -4.589579 logGD-logG0= -0.101142 tlogG= -0.584955 logG= -0.686097 Density= 3.498320 ETOT(band)= -1.770940 trlgG= -2.467318 logG= -0.686097 TDE= -4.588331 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101008 tlogG= -0.587235 logG= -0.688243 Density= 3.497970 ETOT(band)= -1.772762 trlgG= -2.470676 logG= -0.688243 TDE= -4.589262 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100837 tlogG= -0.588023 logG= -0.688861 Density= 3.497718 ETOT(band)= -1.773570 trlgG= -2.470489 logG= -0.688861 TDE= -4.588255 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100929 tlogG= -0.585660 logG= -0.686589 Density= 3.497690 ETOT(band)= -1.772044 trlgG= -2.468152 logG= -0.686589 TDE= -4.588167 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101370 tlogG= -0.582538 logG= -0.683908 Density= 3.498916 ETOT(band)= -1.768791 trlgG= -2.463361 logG= -0.683908 TDE= -4.587041 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102473 tlogG= -0.573955 logG= -0.676429 Density= 3.501283 ETOT(band)= -1.760824 trlgG= -2.451691 logG= -0.676429 TDE= -4.584749 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101099 tlogG= -0.583359 logG= -0.684458 Density= 3.498162 ETOT(band)= -1.770098 trlgG= -2.464111 logG= -0.684458 TDE= -4.586635 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.100647 tlogG= -0.590955 logG= -0.691602 Density= 3.497068 ETOT(band)= -1.776118 trlgG= -2.476499 logG= -0.691602 TDE= -4.591001 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.102047 tlogG= -0.577395 logG= -0.679442 Density= 3.500353 ETOT(band)= -1.764007 trlgG= -2.456755 logG= -0.679442 TDE= -4.586053 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100761 tlogG= -0.588808 logG= -0.689569 Density= 3.497356 ETOT(band)= -1.774457 trlgG= -2.472595 logG= -0.689569 TDE= -4.589362 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102235 tlogG= -0.574840 logG= -0.677075 Density= 3.500690 ETOT(band)= -1.761981 trlgG= -2.452801 logG= -0.677075 TDE= -4.584737 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101313 tlogG= -0.582390 logG= -0.683702 Density= 3.498583 ETOT(band)= -1.768980 trlgG= -2.464070 logG= -0.683702 TDE= -4.587688 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100921 tlogG= -0.589826 logG= -0.690747 Density= 3.497586 ETOT(band)= -1.774816 trlgG= -2.475659 logG= -0.690747 TDE= -4.591433 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100948 tlogG= -0.585662 logG= -0.686611 Density= 3.497807 ETOT(band)= -1.771964 trlgG= -2.467582 logG= -0.686611 TDE= -4.587670 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101662 tlogG= -0.580451 logG= -0.682113 Density= 3.499456 ETOT(band)= -1.766872 trlgG= -2.461399 logG= -0.682113 TDE= -4.587308 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100776 tlogG= -0.587969 logG= -0.688745 Density= 3.497301 ETOT(band)= -1.773953 trlgG= -2.471578 logG= -0.688745 TDE= -4.589125 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100777 tlogG= -0.590414 logG= -0.691191 Density= 3.497288 ETOT(band)= -1.775512 trlgG= -2.476098 logG= -0.691191 TDE= -4.591188 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101954 tlogG= -0.577566 logG= -0.679520 Density= 3.500068 ETOT(band)= -1.764358 trlgG= -2.457115 logG= -0.679520 TDE= -4.586107 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101479 tlogG= -0.582072 logG= -0.683551 Density= 3.499140 ETOT(band)= -1.768257 trlgG= -2.463248 logG= -0.683551 TDE= -4.587464 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100677 tlogG= -0.588379 logG= -0.689056 Density= 3.497158 ETOT(band)= -1.774391 trlgG= -2.471131 logG= -0.689056 TDE= -4.588252 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101016 tlogG= -0.587697 logG= -0.688713 Density= 3.497858 ETOT(band)= -1.773173 trlgG= -2.472314 logG= -0.688713 TDE= -4.590339 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101266 tlogG= -0.584445 logG= -0.685711 Density= 3.498576 ETOT(band)= -1.770348 trlgG= -2.467186 logG= -0.685711 TDE= -4.588789 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101683 tlogG= -0.578776 logG= -0.680459 Density= 3.499516 ETOT(band)= -1.765735 trlgG= -2.458304 logG= -0.680459 TDE= -4.585913 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101862 tlogG= -0.578118 logG= -0.679980 Density= 3.499908 ETOT(band)= -1.764921 trlgG= -2.457488 logG= -0.679980 TDE= -4.585891 logGD-logG0= -0.100853 tlogG= -0.586010 logG= -0.686863 Density= 3.497569 ETOT(band)= -1.772417 trlgG= -2.467911 logG= -0.686863 TDE= -4.587555 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101180 tlogG= -0.584623 logG= -0.685803 Density= 3.498268 ETOT(band)= -1.770762 trlgG= -2.467662 logG= -0.685803 TDE= -4.588927 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100718 tlogG= -0.590544 logG= -0.691262 Density= 3.497078 ETOT(band)= -1.775823 trlgG= -2.476438 logG= -0.691262 TDE= -4.591288 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101197 tlogG= -0.582894 logG= -0.684091 Density= 3.498341 ETOT(band)= -1.769577 trlgG= -2.464206 logG= -0.684091 TDE= -4.587241 logGD-logG0= -0.100880 tlogG= -0.588271 logG= -0.689150 Density= 3.497572 ETOT(band)= -1.773852 trlgG= -2.472613 logG= -0.689150 TDE= -4.589971 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102003 tlogG= -0.575683 logG= -0.677686 Density= 3.500150 ETOT(band)= -1.763062 trlgG= -2.454069 logG= -0.677686 TDE= -4.584960 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101049 tlogG= -0.585157 logG= -0.686206 Density= 3.497994 ETOT(band)= -1.771397 trlgG= -2.467828 logG= -0.686206 TDE= -4.588470 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101020 tlogG= -0.585809 logG= -0.686829 Density= 3.498315 ETOT(band)= -1.771562 trlgG= -2.465930 logG= -0.686829 TDE= -4.586206 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101275 tlogG= -0.582971 logG= -0.684246 Density= 3.498757 ETOT(band)= -1.769256 trlgG= -2.463298 logG= -0.684246 TDE= -4.586512 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 Sum of eigenvalues= -1156.47915391993 eV TrLogG= -1610.31403940508 eV Ratio to renormalize= 1.000478247258 rho-rho_expected=-0.080307132747 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 21) Finished k-point number 22 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= 105 18) Finished k-point number 19 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 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= 104 38) Finished k-point number 39 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834557672379833 0.831684121458940 0.834975524052642 0.831596272347632 0.835143396129092 0.831518033412625 0.834808687187233 0.831573532765501 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101358 tlogG= -0.581679 logG= -0.683037 Density= 3.498783 ETOT(band)= -1.768373 trlgG= -2.462301 logG= -0.683037 TDE= -4.586745 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100648 tlogG= -0.590945 logG= -0.691594 Density= 3.497071 ETOT(band)= -1.776111 trlgG= -2.476483 logG= -0.691594 TDE= -4.590997 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.100922 tlogG= -0.589816 logG= -0.690738 Density= 3.497589 ETOT(band)= -1.774809 trlgG= -2.475643 logG= -0.690738 TDE= -4.591428 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100563 tlogG= -0.592903 logG= -0.693466 Density= 3.496755 ETOT(band)= -1.777728 trlgG= -2.480420 logG= -0.693466 TDE= -4.592807 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100871 tlogG= -0.589925 logG= -0.690795 Density= 3.497396 ETOT(band)= -1.775082 trlgG= -2.475993 logG= -0.690795 TDE= -4.591565 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101199 tlogG= -0.582884 logG= -0.684083 Density= 3.498344 ETOT(band)= -1.769571 trlgG= -2.464191 logG= -0.684083 TDE= -4.587237 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100924 tlogG= -0.587644 logG= -0.688568 Density= 3.497822 ETOT(band)= -1.773203 trlgG= -2.470704 logG= -0.688568 TDE= -4.588846 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100777 tlogG= -0.587959 logG= -0.688736 Density= 3.497304 ETOT(band)= -1.773947 trlgG= -2.471563 logG= -0.688736 TDE= -4.589121 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101955 tlogG= -0.577556 logG= -0.679511 Density= 3.500071 ETOT(band)= -1.764351 trlgG= -2.457100 logG= -0.679511 TDE= -4.586102 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100881 tlogG= -0.588261 logG= -0.689142 Density= 3.497575 ETOT(band)= -1.773845 trlgG= -2.472598 logG= -0.689142 TDE= -4.589967 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100950 tlogG= -0.585652 logG= -0.686602 Density= 3.497810 ETOT(band)= -1.771957 trlgG= -2.467568 logG= -0.686602 TDE= -4.587666 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101143 tlogG= -0.584945 logG= -0.686088 Density= 3.498323 ETOT(band)= -1.770933 trlgG= -2.467303 logG= -0.686088 TDE= -4.588326 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100907 tlogG= -0.591537 logG= -0.692444 Density= 3.497451 ETOT(band)= -1.776077 trlgG= -2.479131 logG= -0.692444 TDE= -4.593098 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102475 tlogG= -0.573946 logG= -0.676420 Density= 3.501286 ETOT(band)= -1.760817 trlgG= -2.451676 logG= -0.676420 TDE= -4.584745 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.100881 tlogG= -0.587493 logG= -0.688375 Density= 3.497495 ETOT(band)= -1.773415 trlgG= -2.471502 logG= -0.688375 TDE= -4.589574 logGD-logG0= -0.101773 tlogG= -0.578288 logG= -0.680061 Density= 3.499632 ETOT(band)= -1.765280 trlgG= -2.457868 logG= -0.680061 TDE= -4.585970 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100719 tlogG= -0.592239 logG= -0.692958 Density= 3.497049 ETOT(band)= -1.776945 trlgG= -2.479720 logG= -0.692958 TDE= -4.592851 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100789 tlogG= -0.586297 logG= -0.687086 Density= 3.497523 ETOT(band)= -1.772692 trlgG= -2.466853 logG= -0.687086 TDE= -4.586237 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101017 tlogG= -0.587687 logG= -0.688705 Density= 3.497861 ETOT(band)= -1.773166 trlgG= -2.472299 logG= -0.688705 TDE= -4.590335 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100762 tlogG= -0.588798 logG= -0.689560 Density= 3.497359 ETOT(band)= -1.774450 trlgG= -2.472580 logG= -0.689560 TDE= -4.589358 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100778 tlogG= -0.590404 logG= -0.691183 Density= 3.497291 ETOT(band)= -1.775505 trlgG= -2.476083 logG= -0.691183 TDE= -4.591184 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100930 tlogG= -0.585650 logG= -0.686581 Density= 3.497694 ETOT(band)= -1.772037 trlgG= -2.468137 logG= -0.686581 TDE= -4.588163 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100839 tlogG= -0.588013 logG= -0.688852 Density= 3.497721 ETOT(band)= -1.773563 trlgG= -2.470474 logG= -0.688852 TDE= -4.588251 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101021 tlogG= -0.585799 logG= -0.686821 logGD-logG0= -0.100854 tlogG= -0.586000 logG= -0.686855 Density= 3.497572 ETOT(band)= -1.772410 trlgG= -2.467896 logG= -0.686855 TDE= -4.587551 Density= 3.498318 ETOT(band)= -1.771555 trlgG= -2.465916 logG= -0.686821 TDE= -4.586202 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101507 tlogG= -0.581087 logG= -0.682595 Density= 3.499092 ETOT(band)= -1.767665 trlgG= -2.461819 logG= -0.682595 TDE= -4.586952 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101685 tlogG= -0.578766 logG= -0.680451 Density= 3.499519 ETOT(band)= -1.765728 trlgG= -2.458289 logG= -0.680451 TDE= -4.585909 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101267 tlogG= -0.584435 logG= -0.685703 Density= 3.498579 ETOT(band)= -1.770341 trlgG= -2.467171 logG= -0.685703 TDE= -4.588785 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101101 tlogG= -0.583349 logG= -0.684450 Density= 3.498165 ETOT(band)= -1.770091 trlgG= -2.464097 logG= -0.684450 TDE= -4.586632 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102237 tlogG= -0.574830 logG= -0.677066 Density= 3.500693 ETOT(band)= -1.761974 trlgG= -2.452786 logG= -0.677066 TDE= -4.584733 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101049 tlogG= -0.585431 logG= -0.686481 Density= 3.498156 ETOT(band)= -1.771464 trlgG= -2.467134 logG= -0.686481 TDE= -4.587631 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100720 tlogG= -0.590534 logG= -0.691253 Density= 3.497081 ETOT(band)= -1.775816 trlgG= -2.476422 logG= -0.691253 TDE= -4.591284 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101314 tlogG= -0.582380 logG= -0.683694 Density= 3.498586 ETOT(band)= -1.768973 trlgG= -2.464055 logG= -0.683694 TDE= -4.587683 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101050 tlogG= -0.585147 logG= -0.686198 Density= 3.497997 ETOT(band)= -1.771390 trlgG= -2.467813 logG= -0.686198 TDE= -4.588466 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101372 tlogG= -0.582528 logG= -0.683900 Density= 3.498919 ETOT(band)= -1.768785 trlgG= -2.463346 logG= -0.683900 TDE= -4.587036 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102005 tlogG= -0.575673 logG= -0.677678 Density= 3.500153 ETOT(band)= -1.763055 trlgG= -2.454054 logG= -0.677678 TDE= -4.584956 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100580 tlogG= -0.591096 logG= -0.691676 Density= 3.496845 ETOT(band)= -1.776458 trlgG= -2.476750 logG= -0.691676 TDE= -4.591000 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101182 tlogG= -0.584613 logG= -0.685794 Density= 3.498272 ETOT(band)= -1.770755 trlgG= -2.467647 logG= -0.685794 TDE= -4.588923 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100678 tlogG= -0.588369 logG= -0.689048 Density= 3.497162 ETOT(band)= -1.774384 trlgG= -2.471116 logG= -0.689048 TDE= -4.588248 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101480 tlogG= -0.582062 logG= -0.683542 Density= 3.499143 ETOT(band)= -1.768250 trlgG= -2.463232 logG= -0.683542 TDE= -4.587460 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101277 tlogG= -0.582961 logG= -0.684238 Density= 3.498760 ETOT(band)= -1.769249 trlgG= -2.463283 logG= -0.684238 TDE= -4.586508 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102049 tlogG= -0.577385 logG= -0.679434 Density= 3.500356 ETOT(band)= -1.764000 trlgG= -2.456739 logG= -0.679434 TDE= -4.586049 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101663 tlogG= -0.580441 logG= -0.682104 Density= 3.499459 ETOT(band)= -1.766865 trlgG= -2.461384 logG= -0.682104 TDE= -4.587304 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101009 tlogG= -0.587226 logG= -0.688234 Density= 3.497973 ETOT(band)= -1.772755 trlgG= -2.470661 logG= -0.688234 TDE= -4.589257 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101067 tlogG= -0.585556 logG= -0.686623 Density= 3.498314 ETOT(band)= -1.771374 trlgG= -2.466663 logG= -0.686623 TDE= -4.587145 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101598 tlogG= -0.578957 logG= -0.680554 Density= 3.499246 ETOT(band)= -1.766109 trlgG= -2.458683 logG= -0.680554 TDE= -4.585980 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101863 tlogG= -0.578108 logG= -0.679972 Density= 3.499911 ETOT(band)= -1.764914 trlgG= -2.457472 logG= -0.679972 TDE= -4.585887 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101130 tlogG= -0.585265 logG= -0.686396 Density= 3.498367 ETOT(band)= -1.771107 trlgG= -2.467001 logG= -0.686396 TDE= -4.587752 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 Sum of eigenvalues= -1156.47459894763 eV TrLogG= -1610.30580215880 eV Ratio to renormalize= 1.000477333121 rho-rho_expected=-0.080153704357 nargs= 1 argi=dmft2.def 26) Finished k-point number 27 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834574430043558 0.831700893690910 0.834992117326883 0.831613133375649 0.835159999423359 0.831534872843492 0.834825449567700 0.831590333986305 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100572 tlogG= -0.592896 logG= -0.693468 Density= 3.496776 ETOT(band)= -1.777746 trlgG= -2.480440 logG= -0.693468 TDE= -4.592843 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101059 tlogG= -0.585141 logG= -0.686200 Density= 3.498019 ETOT(band)= -1.771409 trlgG= -2.467836 logG= -0.686200 TDE= -4.588504 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101606 tlogG= -0.578950 logG= -0.680556 Density= 3.499267 ETOT(band)= -1.766128 trlgG= -2.458708 logG= -0.680556 TDE= -4.586020 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.100657 tlogG= -0.590939 logG= -0.691596 Density= 3.497093 ETOT(band)= -1.776129 trlgG= -2.476504 logG= -0.691596 TDE= -4.591032 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.100880 tlogG= -0.589917 logG= -0.690797 Density= 3.497417 ETOT(band)= -1.775100 trlgG= -2.476011 logG= -0.690797 TDE= -4.591599 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100589 tlogG= -0.591089 logG= -0.691678 Density= 3.496867 ETOT(band)= -1.776477 trlgG= -2.476771 logG= -0.691678 TDE= -4.591036 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100847 tlogG= -0.588007 logG= -0.688854 Density= 3.497742 ETOT(band)= -1.773582 trlgG= -2.470496 logG= -0.688854 TDE= -4.588287 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100687 tlogG= -0.588362 logG= -0.689049 Density= 3.497183 ETOT(band)= -1.774403 trlgG= -2.471138 logG= -0.689049 TDE= -4.588285 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101110 tlogG= -0.583342 logG= -0.684452 Density= 3.498186 ETOT(band)= -1.770110 trlgG= -2.464121 logG= -0.684452 TDE= -4.586671 logGD-logG0= -0.102484 tlogG= -0.573938 logG= -0.676422 Density= 3.501308 ETOT(band)= -1.760835 trlgG= -2.451696 logG= -0.676422 TDE= -4.584781 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101516 tlogG= -0.581081 logG= -0.682597 Density= 3.499113 ETOT(band)= -1.767684 trlgG= -2.461841 logG= -0.682597 TDE= -4.586990 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101152 tlogG= -0.584938 logG= -0.686090 Density= 3.498344 ETOT(band)= -1.770951 trlgG= -2.467326 logG= -0.686090 TDE= -4.588364 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101030 tlogG= -0.585793 logG= -0.686823 Density= 3.498339 ETOT(band)= -1.771574 trlgG= -2.465940 logG= -0.686823 TDE= -4.586241 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100916 tlogG= -0.591530 logG= -0.692445 Density= 3.497473 ETOT(band)= -1.776095 trlgG= -2.479147 logG= -0.692445 TDE= -4.593130 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101672 tlogG= -0.580434 logG= -0.682106 Density= 3.499481 ETOT(band)= -1.766884 trlgG= -2.461406 logG= -0.682106 TDE= -4.587341 logGD-logG0= -0.100797 tlogG= -0.586291 logG= -0.687088 Density= 3.497544 ETOT(band)= -1.772711 trlgG= -2.466876 logG= -0.687088 TDE= -4.586275 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101693 tlogG= -0.578760 logG= -0.680453 Density= 3.499540 ETOT(band)= -1.765747 trlgG= -2.458314 logG= -0.680453 TDE= -4.585949 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101782 tlogG= -0.578281 logG= -0.680063 Density= 3.499653 ETOT(band)= -1.765298 trlgG= -2.457890 logG= -0.680063 TDE= -4.586006 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100933 tlogG= -0.587637 logG= -0.688570 Density= 3.497843 ETOT(band)= -1.773221 trlgG= -2.470727 logG= -0.688570 TDE= -4.588883 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100787 tlogG= -0.590397 logG= -0.691184 Density= 3.497312 ETOT(band)= -1.775523 trlgG= -2.476102 logG= -0.691184 TDE= -4.591219 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101191 tlogG= -0.584606 logG= -0.685796 Density= 3.498293 ETOT(band)= -1.770774 trlgG= -2.467669 logG= -0.685796 TDE= -4.588960 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100786 tlogG= -0.587952 logG= -0.688738 Density= 3.497325 ETOT(band)= -1.773965 trlgG= -2.471586 logG= -0.688738 TDE= -4.589158 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101323 tlogG= -0.582373 logG= -0.683696 Density= 3.498607 ETOT(band)= -1.768991 trlgG= -2.464077 logG= -0.683696 TDE= -4.587721 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101058 tlogG= -0.585425 logG= -0.686483 Density= 3.498178 ETOT(band)= -1.771482 trlgG= -2.467157 logG= -0.686483 TDE= -4.587670 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100958 tlogG= -0.585646 logG= -0.686604 Density= 3.497831 ETOT(band)= -1.771976 trlgG= -2.467591 logG= -0.686604 TDE= -4.587704 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101367 tlogG= -0.581672 logG= -0.683039 Density= 3.498804 ETOT(band)= -1.768392 trlgG= -2.462326 logG= -0.683039 TDE= -4.586784 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100771 tlogG= -0.588791 logG= -0.689562 Density= 3.497380 ETOT(band)= -1.774468 trlgG= -2.472602 logG= -0.689562 TDE= -4.589395 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101139 tlogG= -0.585259 logG= -0.686398 Density= 3.498389 ETOT(band)= -1.771125 trlgG= -2.467025 logG= -0.686398 TDE= -4.587791 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101872 tlogG= -0.578101 logG= -0.679973 Density= 3.499933 ETOT(band)= -1.764933 trlgG= -2.457493 logG= -0.679973 TDE= -4.585923 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.100939 tlogG= -0.585644 logG= -0.686583 Density= 3.497715 ETOT(band)= -1.772055 trlgG= -2.468160 logG= -0.686583 TDE= -4.588201 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101381 tlogG= -0.582521 logG= -0.683902 Density= 3.498940 ETOT(band)= -1.768803 trlgG= -2.463369 logG= -0.683902 TDE= -4.587074 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102245 tlogG= -0.574823 logG= -0.677068 Density= 3.500715 ETOT(band)= -1.761992 trlgG= -2.452807 logG= -0.677068 TDE= -4.584770 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102014 tlogG= -0.575666 logG= -0.677680 Density= 3.500174 ETOT(band)= -1.763074 trlgG= -2.454079 logG= -0.677680 TDE= -4.584996 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.100890 tlogG= -0.588254 logG= -0.689144 Density= 3.497596 ETOT(band)= -1.773863 trlgG= -2.472620 logG= -0.689144 TDE= -4.590005 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100890 tlogG= -0.587486 logG= -0.688376 Density= 3.497516 ETOT(band)= -1.773433 trlgG= -2.471524 logG= -0.688376 TDE= -4.589612 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101076 tlogG= -0.585549 logG= -0.686625 Density= 3.498335 ETOT(band)= -1.771393 trlgG= -2.466687 logG= -0.686625 TDE= -4.587184 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101026 tlogG= -0.587680 logG= -0.688706 Density= 3.497882 ETOT(band)= -1.773184 trlgG= -2.472321 logG= -0.688706 TDE= -4.590373 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101276 tlogG= -0.584428 logG= -0.685705 Density= 3.498601 ETOT(band)= -1.770360 trlgG= -2.467193 logG= -0.685705 TDE= -4.588823 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101286 tlogG= -0.582954 logG= -0.684240 Density= 3.498782 ETOT(band)= -1.769268 trlgG= -2.463308 logG= -0.684240 TDE= -4.586548 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101208 tlogG= -0.582877 logG= -0.684085 Density= 3.498365 ETOT(band)= -1.769589 trlgG= -2.464214 logG= -0.684085 TDE= -4.587274 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100728 tlogG= -0.592231 logG= -0.692959 Density= 3.497070 ETOT(band)= -1.776963 trlgG= -2.479738 logG= -0.692959 TDE= -4.592885 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101964 tlogG= -0.577549 logG= -0.679513 Density= 3.500092 ETOT(band)= -1.764370 trlgG= -2.457121 logG= -0.679513 TDE= -4.586139 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100931 tlogG= -0.589809 logG= -0.690740 Density= 3.497611 ETOT(band)= -1.774826 trlgG= -2.475661 logG= -0.690740 TDE= -4.591462 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100728 tlogG= -0.590527 logG= -0.691255 Density= 3.497102 ETOT(band)= -1.775834 trlgG= -2.476441 logG= -0.691255 TDE= -4.591318 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101018 tlogG= -0.587219 logG= -0.688236 Density= 3.497995 ETOT(band)= -1.772774 trlgG= -2.470682 logG= -0.688236 TDE= -4.589294 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101489 tlogG= -0.582056 logG= -0.683544 Density= 3.499165 ETOT(band)= -1.768269 trlgG= -2.463255 logG= -0.683544 TDE= -4.587498 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102057 tlogG= -0.577378 logG= -0.679436 Density= 3.500378 ETOT(band)= -1.764019 trlgG= -2.456760 logG= -0.679436 TDE= -4.586085 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100863 tlogG= -0.585994 logG= -0.686857 Density= 3.497594 ETOT(band)= -1.772429 trlgG= -2.467919 logG= -0.686857 TDE= -4.587589 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=144 Sum of eigenvalues= -1156.48666816372 eV TrLogG= -1610.33130191730 eV Ratio to renormalize= 1.000471235298 rho-rho_expected=-0.079130241065 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834622566761045 0.831750004452915 0.835040161659736 0.831662339880417 0.835207737398982 0.831584200840319 0.834873618579339 0.831639518941097 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100907 tlogG= -0.589898 logG= -0.690805 Density= 3.497484 ETOT(band)= -1.775149 trlgG= -2.476063 logG= -0.690805 TDE= -4.591696 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100917 tlogG= -0.587468 logG= -0.688385 Density= 3.497582 ETOT(band)= -1.773484 trlgG= -2.471590 logG= -0.688385 TDE= -4.589721 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101408 tlogG= -0.582504 logG= -0.683912 Density= 3.499006 ETOT(band)= -1.768855 trlgG= -2.463437 logG= -0.683912 TDE= -4.587185 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100599 tlogG= -0.592877 logG= -0.693476 Density= 3.496842 ETOT(band)= -1.777796 trlgG= -2.480499 logG= -0.693476 TDE= -4.592946 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101809 tlogG= -0.578263 logG= -0.680072 Density= 3.499720 ETOT(band)= -1.765349 trlgG= -2.457952 logG= -0.680072 TDE= -4.586113 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.100684 tlogG= -0.590921 logG= -0.691605 Density= 3.497158 ETOT(band)= -1.776180 trlgG= -2.476564 logG= -0.691605 TDE= -4.591136 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101992 tlogG= -0.577530 logG= -0.679522 Density= 3.500159 ETOT(band)= -1.764420 trlgG= -2.457182 logG= -0.679522 TDE= -4.586245 logGD-logG0= -0.100966 tlogG= -0.585626 logG= -0.686592 Density= 3.497781 ETOT(band)= -1.772106 trlgG= -2.468227 logG= -0.686592 TDE= -4.588312 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102512 tlogG= -0.573919 logG= -0.676431 Density= 3.501375 ETOT(band)= -1.760885 trlgG= -2.451756 logG= -0.676431 TDE= -4.584886 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.100798 tlogG= -0.588773 logG= -0.689571 Density= 3.497446 ETOT(band)= -1.774519 trlgG= -2.472668 logG= -0.689571 TDE= -4.589505 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101045 tlogG= -0.587201 logG= -0.688246 Density= 3.498061 ETOT(band)= -1.772824 trlgG= -2.470747 logG= -0.688246 TDE= -4.589403 logGD-logG0= -0.101085 tlogG= -0.585407 logG= -0.686492 Density= 3.498243 ETOT(band)= -1.771534 trlgG= -2.467227 logG= -0.686492 TDE= -4.587783 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100943 tlogG= -0.591510 logG= -0.692453 Density= 3.497539 ETOT(band)= -1.776144 trlgG= -2.479194 logG= -0.692453 TDE= -4.593224 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100874 tlogG= -0.587990 logG= -0.688864 Density= 3.497807 ETOT(band)= -1.773634 trlgG= -2.470559 logG= -0.688864 TDE= -4.588393 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101053 tlogG= -0.587662 logG= -0.688715 Density= 3.497949 ETOT(band)= -1.773234 trlgG= -2.472386 logG= -0.688715 TDE= -4.590482 logGD-logG0= -0.100755 tlogG= -0.592213 logG= -0.692967 Density= 3.497136 ETOT(band)= -1.777013 trlgG= -2.479792 logG= -0.692967 TDE= -4.592984 logGD-logG0= -0.100824 tlogG= -0.586274 logG= -0.687098 Density= 3.497610 ETOT(band)= -1.772763 trlgG= -2.466944 logG= -0.687098 TDE= -4.586385 logGD-logG0= -0.101543 tlogG= -0.581063 logG= -0.682606 Density= 3.499180 ETOT(band)= -1.767735 trlgG= -2.461906 logG= -0.682606 TDE= -4.587099 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101179 tlogG= -0.584920 logG= -0.686100 Density= 3.498410 ETOT(band)= -1.771003 trlgG= -2.467393 logG= -0.686100 TDE= -4.588475 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100985 tlogG= -0.585628 logG= -0.686614 Density= 3.497897 ETOT(band)= -1.772028 trlgG= -2.467661 logG= -0.686614 TDE= -4.587818 logGD-logG0= -0.101103 tlogG= -0.585533 logG= -0.686635 Density= 3.498401 ETOT(band)= -1.771445 trlgG= -2.466760 logG= -0.686635 TDE= -4.587298 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101394 tlogG= -0.581654 logG= -0.683048 Density= 3.498870 ETOT(band)= -1.768443 trlgG= -2.462399 logG= -0.683048 TDE= -4.586901 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100960 tlogG= -0.587620 logG= -0.688580 Density= 3.497909 ETOT(band)= -1.773273 trlgG= -2.470792 logG= -0.688580 TDE= -4.588991 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100616 tlogG= -0.591071 logG= -0.691687 Density= 3.496932 ETOT(band)= -1.776527 trlgG= -2.476831 logG= -0.691687 TDE= -4.591140 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101900 tlogG= -0.578083 logG= -0.679983 Density= 3.499999 ETOT(band)= -1.764984 trlgG= -2.457556 logG= -0.679983 TDE= -4.586029 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.100958 tlogG= -0.589790 logG= -0.690748 Density= 3.497677 ETOT(band)= -1.774876 trlgG= -2.475714 logG= -0.690748 TDE= -4.591559 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101218 tlogG= -0.584587 logG= -0.685805 Density= 3.498359 ETOT(band)= -1.770824 trlgG= -2.467735 logG= -0.685805 TDE= -4.589071 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100714 tlogG= -0.588345 logG= -0.689059 Density= 3.497248 ETOT(band)= -1.774454 trlgG= -2.471203 logG= -0.689059 TDE= -4.588393 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101350 tlogG= -0.582355 logG= -0.683705 Density= 3.498673 ETOT(band)= -1.769042 trlgG= -2.464144 logG= -0.683705 TDE= -4.587832 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101136 tlogG= -0.583325 logG= -0.684462 Density= 3.498252 ETOT(band)= -1.770162 trlgG= -2.464194 logG= -0.684462 TDE= -4.586787 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101634 tlogG= -0.578932 logG= -0.680566 Density= 3.499333 ETOT(band)= -1.766179 trlgG= -2.458781 logG= -0.680566 TDE= -4.586137 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101516 tlogG= -0.582038 logG= -0.683554 Density= 3.499230 ETOT(band)= -1.768320 trlgG= -2.463322 logG= -0.683554 TDE= -4.587608 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102085 tlogG= -0.577360 logG= -0.679445 Density= 3.500444 ETOT(band)= -1.764069 trlgG= -2.456822 logG= -0.679445 TDE= -4.586191 logGD-logG0= -0.101303 tlogG= -0.584410 logG= -0.685714 Density= 3.498667 ETOT(band)= -1.770411 trlgG= -2.467260 logG= -0.685714 TDE= -4.588933 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101235 tlogG= -0.582860 logG= -0.684094 Density= 3.498431 ETOT(band)= -1.769641 trlgG= -2.464281 logG= -0.684094 TDE= -4.587385 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101166 tlogG= -0.585241 logG= -0.686408 Density= 3.498454 ETOT(band)= -1.771177 trlgG= -2.467095 logG= -0.686408 TDE= -4.587905 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102273 tlogG= -0.574804 logG= -0.677077 Density= 3.500781 ETOT(band)= -1.762043 trlgG= -2.452872 logG= -0.677077 TDE= -4.584879 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101313 tlogG= -0.582937 logG= -0.684250 Density= 3.498847 ETOT(band)= -1.769320 trlgG= -2.463382 logG= -0.684250 TDE= -4.586664 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100890 tlogG= -0.585976 logG= -0.686866 Density= 3.497659 ETOT(band)= -1.772481 trlgG= -2.467987 logG= -0.686866 TDE= -4.587699 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100755 tlogG= -0.590508 logG= -0.691264 Density= 3.497168 ETOT(band)= -1.775884 trlgG= -2.476497 logG= -0.691264 TDE= -4.591418 logGD-logG0= -0.100813 tlogG= -0.587935 logG= -0.688748 Density= 3.497391 ETOT(band)= -1.774016 trlgG= -2.471652 logG= -0.688748 TDE= -4.589268 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=143 logGD-logG0= -0.101721 tlogG= -0.578742 logG= -0.680463 Density= 3.499606 ETOT(band)= -1.765799 trlgG= -2.458387 logG= -0.680463 TDE= -4.586066 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100814 tlogG= -0.590379 logG= -0.691193 Density= 3.497378 ETOT(band)= -1.775573 trlgG= -2.476160 logG= -0.691193 TDE= -4.591320 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101700 tlogG= -0.580415 logG= -0.682115 Density= 3.499547 ETOT(band)= -1.766934 trlgG= -2.461472 logG= -0.682115 TDE= -4.587451 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102041 tlogG= -0.575648 logG= -0.677689 Density= 3.500241 ETOT(band)= -1.763125 trlgG= -2.454151 logG= -0.677689 TDE= -4.585113 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101057 tlogG= -0.585776 logG= -0.686833 Density= 3.498404 ETOT(band)= -1.771626 trlgG= -2.466011 logG= -0.686833 TDE= -4.586355 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101086 tlogG= -0.585123 logG= -0.686209 Density= 3.498084 ETOT(band)= -1.771460 trlgG= -2.467903 logG= -0.686209 TDE= -4.588614 logGD-logG0= -0.100917 tlogG= -0.588236 logG= -0.689152 Density= 3.497662 ETOT(band)= -1.773914 trlgG= -2.472686 logG= -0.689152 TDE= -4.590115 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.51996019877 eV TrLogG= -1610.40835076793 eV Ratio to renormalize= 1.000452385005 rho-rho_expected=-0.075966314814 nargs= 1 argi=dmft2.def 25) Finished k-point number 26 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 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= 105 1) Finished k-point number 2 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834717464515819 0.831846079967644 0.835134519840491 0.831758769504932 0.835301660305785 0.831680809386417 0.834968299863151 0.831735850005772 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100993 tlogG= -0.591449 logG= -0.692442 Density= 3.497663 ETOT(band)= -1.776212 trlgG= -2.479236 logG= -0.692442 TDE= -4.593375 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100848 tlogG= -0.588715 logG= -0.689563 Density= 3.497567 ETOT(band)= -1.774592 trlgG= -2.472743 logG= -0.689563 TDE= -4.589686 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100874 tlogG= -0.586217 logG= -0.687091 Density= 3.497730 ETOT(band)= -1.772838 trlgG= -2.467024 logG= -0.687091 TDE= -4.586569 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100649 tlogG= -0.592817 logG= -0.693466 Density= 3.496964 ETOT(band)= -1.777866 trlgG= -2.480561 logG= -0.693466 TDE= -4.593116 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101444 tlogG= -0.581596 logG= -0.683041 Density= 3.498992 ETOT(band)= -1.768517 trlgG= -2.462487 logG= -0.683041 TDE= -4.587095 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101010 tlogG= -0.587562 logG= -0.688572 Density= 3.498030 ETOT(band)= -1.773346 trlgG= -2.470867 logG= -0.688572 TDE= -4.589171 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101594 tlogG= -0.581004 logG= -0.682598 Density= 3.499301 ETOT(band)= -1.767808 trlgG= -2.461981 logG= -0.682598 TDE= -4.587280 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101354 tlogG= -0.584351 logG= -0.685705 Density= 3.498789 ETOT(band)= -1.770482 trlgG= -2.467335 logG= -0.685705 TDE= -4.589115 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101186 tlogG= -0.583268 logG= -0.684454 Density= 3.498372 ETOT(band)= -1.770236 trlgG= -2.464283 logG= -0.684454 TDE= -4.586980 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101035 tlogG= -0.585571 logG= -0.686606 Density= 3.498018 ETOT(band)= -1.772101 trlgG= -2.467745 logG= -0.686606 TDE= -4.588006 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101104 tlogG= -0.587601 logG= -0.688705 Density= 3.498071 ETOT(band)= -1.773304 trlgG= -2.472459 logG= -0.688705 TDE= -4.590664 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101684 tlogG= -0.578874 logG= -0.680558 Density= 3.499454 ETOT(band)= -1.766253 trlgG= -2.458869 logG= -0.680558 TDE= -4.586331 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100862 tlogG= -0.587877 logG= -0.688739 Density= 3.497512 ETOT(band)= -1.774089 trlgG= -2.471727 logG= -0.688739 TDE= -4.589449 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100967 tlogG= -0.587409 logG= -0.688376 Density= 3.497704 ETOT(band)= -1.773556 trlgG= -2.471664 logG= -0.688376 TDE= -4.589903 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.102136 tlogG= -0.577300 logG= -0.679436 Density= 3.500567 ETOT(band)= -1.764141 trlgG= -2.456890 logG= -0.679436 TDE= -4.586366 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100666 tlogG= -0.591012 logG= -0.691677 Density= 3.497054 ETOT(band)= -1.776599 trlgG= -2.476895 logG= -0.691677 TDE= -4.591311 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101400 tlogG= -0.582296 logG= -0.683696 Density= 3.498795 ETOT(band)= -1.769115 trlgG= -2.464220 logG= -0.683696 TDE= -4.588014 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100734 tlogG= -0.590862 logG= -0.691596 Density= 3.497280 ETOT(band)= -1.776253 trlgG= -2.476628 logG= -0.691596 TDE= -4.591307 logGD-logG0= -0.100924 tlogG= -0.587933 logG= -0.688857 Density= 3.497928 ETOT(band)= -1.773708 trlgG= -2.470630 logG= -0.688857 TDE= -4.588567 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.101016 tlogG= -0.585568 logG= -0.686584 Density= 3.497902 ETOT(band)= -1.772179 trlgG= -2.468305 logG= -0.686584 TDE= -4.588495 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100957 tlogG= -0.589838 logG= -0.690795 Density= 3.497606 ETOT(band)= -1.775220 trlgG= -2.476112 logG= -0.690795 TDE= -4.591854 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100763 tlogG= -0.588288 logG= -0.689051 Density= 3.497369 ETOT(band)= -1.774528 trlgG= -2.471277 logG= -0.689051 TDE= -4.588572 logGD-logG0= -0.102043 tlogG= -0.577470 logG= -0.679513 Density= 3.500282 ETOT(band)= -1.764492 trlgG= -2.457249 logG= -0.679513 TDE= -4.586420 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101363 tlogG= -0.582881 logG= -0.684243 Density= 3.498968 ETOT(band)= -1.769396 trlgG= -2.463471 logG= -0.684243 TDE= -4.586857 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101135 tlogG= -0.585350 logG= -0.686485 Density= 3.498364 ETOT(band)= -1.771608 trlgG= -2.467310 logG= -0.686485 TDE= -4.587970 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102563 tlogG= -0.573858 logG= -0.676421 Density= 3.501499 ETOT(band)= -1.760956 trlgG= -2.451821 logG= -0.676421 TDE= -4.585060 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101229 tlogG= -0.584862 logG= -0.686091 Density= 3.498531 ETOT(band)= -1.771076 trlgG= -2.467471 logG= -0.686091 TDE= -4.588659 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100805 tlogG= -0.590449 logG= -0.691254 Density= 3.497290 ETOT(band)= -1.775955 trlgG= -2.476554 logG= -0.691254 TDE= -4.591582 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101284 tlogG= -0.582802 logG= -0.684086 Density= 3.498552 ETOT(band)= -1.769714 trlgG= -2.464358 logG= -0.684086 TDE= -4.587567 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101458 tlogG= -0.582447 logG= -0.683905 Density= 3.499127 ETOT(band)= -1.768930 trlgG= -2.463515 logG= -0.683905 TDE= -4.587367 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101008 tlogG= -0.589730 logG= -0.690738 Density= 3.497800 ETOT(band)= -1.774946 trlgG= -2.475766 logG= -0.690738 TDE= -4.591719 logGD-logG0= -0.101216 tlogG= -0.585184 logG= -0.686400 Density= 3.498576 ETOT(band)= -1.771251 trlgG= -2.467180 logG= -0.686400 TDE= -4.588094 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101860 tlogG= -0.578203 logG= -0.680063 Density= 3.499842 ETOT(band)= -1.765422 trlgG= -2.458022 logG= -0.680063 TDE= -4.586288 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101771 tlogG= -0.578684 logG= -0.680455 Density= 3.499728 ETOT(band)= -1.765873 trlgG= -2.458476 logG= -0.680455 TDE= -4.586260 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100805 tlogG= -0.592152 logG= -0.692957 Density= 3.497259 ETOT(band)= -1.777082 trlgG= -2.479844 logG= -0.692957 TDE= -4.593145 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102092 tlogG= -0.575589 logG= -0.677680 logGD-logG0= -0.101750 tlogG= -0.580355 logG= -0.682106 Density= 3.499670 ETOT(band)= -1.767006 trlgG= -2.461546 logG= -0.682106 TDE= -4.587633 Density= 3.500363 ETOT(band)= -1.763197 trlgG= -2.454238 logG= -0.677680 TDE= -4.585306 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101950 tlogG= -0.578024 logG= -0.679975 Density= 3.500121 ETOT(band)= -1.765057 trlgG= -2.457624 logG= -0.679975 TDE= -4.586204 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101268 tlogG= -0.584528 logG= -0.685796 Density= 3.498481 ETOT(band)= -1.770896 trlgG= -2.467810 logG= -0.685796 TDE= -4.589253 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100864 tlogG= -0.590320 logG= -0.691184 Density= 3.497500 ETOT(band)= -1.775645 trlgG= -2.476219 logG= -0.691184 TDE= -4.591487 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101153 tlogG= -0.585476 logG= -0.686628 Density= 3.498521 ETOT(band)= -1.771520 trlgG= -2.466847 logG= -0.686628 TDE= -4.587489 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100967 tlogG= -0.588176 logG= -0.689143 Density= 3.497784 ETOT(band)= -1.773986 trlgG= -2.472761 logG= -0.689143 TDE= -4.590297 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101107 tlogG= -0.585720 logG= -0.686827 Density= 3.498524 ETOT(band)= -1.771702 trlgG= -2.466098 logG= -0.686827 TDE= -4.586543 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102324 tlogG= -0.574744 logG= -0.677068 Density= 3.500904 ETOT(band)= -1.762115 trlgG= -2.452944 logG= -0.677068 TDE= -4.585058 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101136 tlogG= -0.585064 logG= -0.686200 Density= 3.498206 ETOT(band)= -1.771533 trlgG= -2.467980 logG= -0.686200 TDE= -4.588798 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101566 tlogG= -0.581979 logG= -0.683546 Density= 3.499352 ETOT(band)= -1.768394 trlgG= -2.463399 logG= -0.683546 TDE= -4.587791 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101095 tlogG= -0.587142 logG= -0.688237 Density= 3.498182 ETOT(band)= -1.772897 trlgG= -2.470820 logG= -0.688237 TDE= -4.589582 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100940 tlogG= -0.585919 logG= -0.686859 Density= 3.497780 ETOT(band)= -1.772555 trlgG= -2.468066 logG= -0.686859 TDE= -4.587883 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 Sum of eigenvalues= -1156.56745526779 eV TrLogG= -1610.52017309720 eV Ratio to renormalize= 1.000417588731 rho-rho_expected=-0.070125623102 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 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= 105 20) Finished k-point number 21 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 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= 105 18) Finished k-point number 19 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 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 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 35) Finished k-point number 36 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 28) Finished k-point number 29 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= 0.834717050428075 0.831845795228977 0.835134108528605 0.831758483714728 0.835301256788175 0.831680527847518 0.834967890523372 0.831735573895604 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101326 tlogG= -0.589826 logG= -0.691152 Density= 3.497562 ETOT(band)= -1.775225 trlgG= -2.476490 logG= -0.691152 TDE= -4.591839 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101244 tlogG= -0.586206 logG= -0.687450 Density= 3.497690 ETOT(band)= -1.772843 trlgG= -2.467399 logG= -0.687450 TDE= -4.586553 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101104 tlogG= -0.590851 logG= -0.691954 Density= 3.497242 ETOT(band)= -1.776255 trlgG= -2.477001 logG= -0.691954 TDE= -4.591291 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.102227 tlogG= -0.578192 logG= -0.680419 Density= 3.499786 ETOT(band)= -1.765434 trlgG= -2.458406 logG= -0.680419 TDE= -4.586273 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101556 tlogG= -0.583256 logG= -0.684812 Density= 3.498328 ETOT(band)= -1.770243 trlgG= -2.464661 logG= -0.684812 TDE= -4.586964 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101018 tlogG= -0.592806 logG= -0.693825 Density= 3.496926 ETOT(band)= -1.777869 trlgG= -2.480935 logG= -0.693825 TDE= -4.593101 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101294 tlogG= -0.587921 logG= -0.689216 Density= 3.497889 ETOT(band)= -1.773711 trlgG= -2.471004 logG= -0.689216 TDE= -4.588552 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101174 tlogG= -0.590437 logG= -0.691612 Density= 3.497249 ETOT(band)= -1.775959 trlgG= -2.476929 logG= -0.691612 TDE= -4.591567 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101362 tlogG= -0.591437 logG= -0.692799 Density= 3.497617 ETOT(band)= -1.776218 trlgG= -2.479614 logG= -0.692799 TDE= -4.593360 logGD-logG0= -0.101385 tlogG= -0.585556 logG= -0.686942 Density= 3.497858 ETOT(band)= -1.772186 trlgG= -2.468682 logG= -0.686942 TDE= -4.588479 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102052 tlogG= -0.578862 logG= -0.680914 Density= 3.499402 ETOT(band)= -1.766263 trlgG= -2.459252 logG= -0.680914 TDE= -4.586315 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101505 tlogG= -0.585339 logG= -0.686843 Density= 3.498321 ETOT(band)= -1.771614 trlgG= -2.467687 logG= -0.686843 TDE= -4.587954 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101377 tlogG= -0.589718 logG= -0.691095 Density= 3.497755 ETOT(band)= -1.774952 trlgG= -2.476144 logG= -0.691095 TDE= -4.591704 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101336 tlogG= -0.587398 logG= -0.688734 Density= 3.497661 ETOT(band)= -1.773561 trlgG= -2.472041 logG= -0.688734 TDE= -4.589887 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101935 tlogG= -0.581968 logG= -0.683902 Density= 3.499301 ETOT(band)= -1.768404 trlgG= -2.463781 logG= -0.683902 TDE= -4.587775 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101653 tlogG= -0.582790 logG= -0.684444 Density= 3.498505 ETOT(band)= -1.769722 trlgG= -2.464737 logG= -0.684444 TDE= -4.587551 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101405 tlogG= -0.585559 logG= -0.686964 Density= 3.497976 ETOT(band)= -1.772107 trlgG= -2.468121 logG= -0.686964 TDE= -4.587990 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101472 tlogG= -0.587590 logG= -0.689062 Density= 3.498025 ETOT(band)= -1.773311 trlgG= -2.472838 logG= -0.689062 TDE= -4.590648 logGD-logG0= -0.101379 tlogG= -0.587551 logG= -0.688930 Density= 3.497988 ETOT(band)= -1.773351 trlgG= -2.471242 logG= -0.688930 TDE= -4.589155 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101598 tlogG= -0.584850 logG= -0.686449 Density= 3.498486 ETOT(band)= -1.771083 trlgG= -2.467850 logG= -0.686449 TDE= -4.588643 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101962 tlogG= -0.580992 logG= -0.682954 Density= 3.499250 ETOT(band)= -1.767818 trlgG= -2.462363 logG= -0.682954 TDE= -4.587264 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102929 tlogG= -0.573846 logG= -0.676775 Density= 3.501431 ETOT(band)= -1.760975 trlgG= -2.452214 logG= -0.676775 TDE= -4.585044 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101336 tlogG= -0.588165 logG= -0.689501 Density= 3.497741 ETOT(band)= -1.773991 trlgG= -2.473138 logG= -0.689501 TDE= -4.590281 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102118 tlogG= -0.580344 logG= -0.682462 Density= 3.499615 ETOT(band)= -1.767018 trlgG= -2.461931 logG= -0.682462 TDE= -4.587617 logGD-logG0= -0.101477 tlogG= -0.585709 logG= -0.687186 Density= 3.498484 ETOT(band)= -1.771707 trlgG= -2.466473 logG= -0.687186 TDE= -4.586528 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101309 tlogG= -0.585908 logG= -0.687217 Density= 3.497738 ETOT(band)= -1.772560 trlgG= -2.468442 logG= -0.687217 TDE= -4.587867 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102410 tlogG= -0.577458 logG= -0.679868 Density= 3.500222 ETOT(band)= -1.764506 trlgG= -2.457637 logG= -0.679868 TDE= -4.586404 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101522 tlogG= -0.585464 logG= -0.686987 Density= 3.498479 ETOT(band)= -1.771526 trlgG= -2.467224 logG= -0.686987 TDE= -4.587473 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101464 tlogG= -0.587131 logG= -0.688594 Density= 3.498138 ETOT(band)= -1.772903 trlgG= -2.471198 logG= -0.688594 TDE= -4.589566 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101505 tlogG= -0.585053 logG= -0.686558 Density= 3.498161 ETOT(band)= -1.771540 trlgG= -2.468358 logG= -0.686558 TDE= -4.588782 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101133 tlogG= -0.588276 logG= -0.689410 Density= 3.497330 ETOT(band)= -1.774532 trlgG= -2.471651 logG= -0.689410 TDE= -4.588556 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102318 tlogG= -0.578013 logG= -0.680331 Density= 3.500065 ETOT(band)= -1.765069 trlgG= -2.458009 logG= -0.680331 TDE= -4.586188 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101233 tlogG= -0.590308 logG= -0.691541 Density= 3.497459 ETOT(band)= -1.775648 trlgG= -2.476594 logG= -0.691541 TDE= -4.591471 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101218 tlogG= -0.588703 logG= -0.689921 Density= 3.497527 ETOT(band)= -1.774596 trlgG= -2.473118 logG= -0.689921 TDE= -4.589670 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101813 tlogG= -0.581585 logG= -0.683398 Density= 3.498943 ETOT(band)= -1.768525 trlgG= -2.462867 logG= -0.683398 TDE= -4.587079 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101732 tlogG= -0.582869 logG= -0.684601 Density= 3.498923 ETOT(band)= -1.769402 trlgG= -2.463849 logG= -0.684601 TDE= -4.586841 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101174 tlogG= -0.592140 logG= -0.693314 Density= 3.497217 ETOT(band)= -1.777086 trlgG= -2.480220 logG= -0.693314 TDE= -4.593130 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101722 tlogG= -0.584340 logG= -0.686062 Density= 3.498740 ETOT(band)= -1.770491 trlgG= -2.467715 logG= -0.686062 TDE= -4.589100 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101036 tlogG= -0.591000 logG= -0.692036 Density= 3.497016 ETOT(band)= -1.776601 trlgG= -2.477268 logG= -0.692036 TDE= -4.591295 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101827 tlogG= -0.582435 logG= -0.684262 Density= 3.499079 ETOT(band)= -1.768938 trlgG= -2.463895 logG= -0.684262 TDE= -4.587351 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101769 tlogG= -0.582285 logG= -0.684053 Density= 3.498746 ETOT(band)= -1.769124 trlgG= -2.464601 logG= -0.684053 TDE= -4.587999 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101636 tlogG= -0.584516 logG= -0.686153 Density= 3.498433 ETOT(band)= -1.770904 trlgG= -2.468190 logG= -0.686153 TDE= -4.589237 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102691 tlogG= -0.574732 logG= -0.677423 Density= 3.500842 ETOT(band)= -1.762130 trlgG= -2.453333 logG= -0.677423 TDE= -4.585043 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102459 tlogG= -0.575577 logG= -0.678036 Density= 3.500305 ETOT(band)= -1.763211 trlgG= -2.454624 logG= -0.678036 TDE= -4.585290 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102503 tlogG= -0.577288 logG= -0.679791 Density= 3.500507 ETOT(band)= -1.764156 trlgG= -2.457278 logG= -0.679791 TDE= -4.586351 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102139 tlogG= -0.578672 logG= -0.680812 Density= 3.499675 ETOT(band)= -1.765883 trlgG= -2.458859 logG= -0.680812 TDE= -4.586244 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101585 tlogG= -0.585172 logG= -0.686758 Density= 3.498530 ETOT(band)= -1.771258 trlgG= -2.467558 logG= -0.686758 TDE= -4.588078 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101232 tlogG= -0.587865 logG= -0.689097 Density= 3.497472 ETOT(band)= -1.774093 trlgG= -2.472102 logG= -0.689097 TDE= -4.589433 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.57230145943 eV TrLogG= -1610.74323466550 eV Ratio to renormalize= 1.000430940913 rho-rho_expected=-0.072366887522 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 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 18) Finished k-point number 19 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834717412131199 0.831846149716227 0.835134470305023 0.831758838414220 0.835301614007316 0.831680883198227 0.834968250482962 0.831735927650832 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101405 tlogG= -0.585561 logG= -0.686966 Density= 3.497976 ETOT(band)= -1.772109 trlgG= -2.468125 logG= -0.686966 TDE= -4.587993 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101244 tlogG= -0.586207 logG= -0.687451 Density= 3.497690 ETOT(band)= -1.772846 trlgG= -2.467404 logG= -0.687451 TDE= -4.586556 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101599 tlogG= -0.584852 logG= -0.686451 Density= 3.498487 ETOT(band)= -1.771085 trlgG= -2.467854 logG= -0.686451 TDE= -4.588646 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101380 tlogG= -0.587552 logG= -0.688932 Density= 3.497989 ETOT(band)= -1.773354 trlgG= -2.471247 logG= -0.688932 TDE= -4.589158 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101218 tlogG= -0.588705 logG= -0.689923 Density= 3.497528 ETOT(band)= -1.774598 trlgG= -2.473122 logG= -0.689923 TDE= -4.589673 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101505 tlogG= -0.585340 logG= -0.686845 Density= 3.498322 ETOT(band)= -1.771616 trlgG= -2.467691 logG= -0.686845 TDE= -4.587957 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101813 tlogG= -0.581586 logG= -0.683400 Density= 3.498944 ETOT(band)= -1.768528 trlgG= -2.462872 logG= -0.683400 TDE= -4.587082 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101362 tlogG= -0.591439 logG= -0.692801 Density= 3.497617 ETOT(band)= -1.776221 trlgG= -2.479619 logG= -0.692801 TDE= -4.593363 logGD-logG0= -0.101104 tlogG= -0.590852 logG= -0.691956 Density= 3.497242 ETOT(band)= -1.776258 trlgG= -2.477006 logG= -0.691956 TDE= -4.591294 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.102052 tlogG= -0.578864 logG= -0.680916 Density= 3.499403 ETOT(band)= -1.766266 trlgG= -2.459256 logG= -0.680916 TDE= -4.586318 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101326 tlogG= -0.589828 logG= -0.691154 Density= 3.497563 ETOT(band)= -1.775227 trlgG= -2.476494 logG= -0.691154 TDE= -4.591842 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101723 tlogG= -0.584341 logG= -0.686064 Density= 3.498740 ETOT(band)= -1.770493 trlgG= -2.467720 logG= -0.686064 TDE= -4.589103 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101295 tlogG= -0.587923 logG= -0.689217 Density= 3.497890 ETOT(band)= -1.773714 trlgG= -2.471008 logG= -0.689217 TDE= -4.588555 logGD-logG0= -0.101019 tlogG= -0.592808 logG= -0.693826 Density= 3.496927 ETOT(band)= -1.777871 trlgG= -2.480939 logG= -0.693826 TDE= -4.593104 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102503 tlogG= -0.577290 logG= -0.679793 Density= 3.500507 ETOT(band)= -1.764159 trlgG= -2.457282 logG= -0.679793 TDE= -4.586354 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102691 tlogG= -0.574734 logG= -0.677425 Density= 3.500842 ETOT(band)= -1.762133 trlgG= -2.453337 logG= -0.677425 TDE= -4.585046 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101174 tlogG= -0.592142 logG= -0.693316 Density= 3.497218 ETOT(band)= -1.777089 trlgG= -2.480224 logG= -0.693316 TDE= -4.593133 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102228 tlogG= -0.578194 logG= -0.680421 Density= 3.499787 ETOT(band)= -1.765436 trlgG= -2.458411 logG= -0.680421 TDE= -4.586276 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101962 tlogG= -0.580994 logG= -0.682956 Density= 3.499251 ETOT(band)= -1.767820 trlgG= -2.462367 logG= -0.682956 TDE= -4.587267 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101232 tlogG= -0.587867 logG= -0.689099 Density= 3.497472 ETOT(band)= -1.774096 trlgG= -2.472106 logG= -0.689099 TDE= -4.589436 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101556 tlogG= -0.583258 logG= -0.684814 Density= 3.498329 ETOT(band)= -1.770246 trlgG= -2.464665 logG= -0.684814 TDE= -4.586967 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101036 tlogG= -0.591002 logG= -0.692038 Density= 3.497017 ETOT(band)= -1.776604 trlgG= -2.477273 logG= -0.692038 TDE= -4.591298 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101464 tlogG= -0.587132 logG= -0.688596 Density= 3.498138 ETOT(band)= -1.772905 trlgG= -2.471202 logG= -0.688596 TDE= -4.589569 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101310 tlogG= -0.585909 logG= -0.687219 Density= 3.497739 ETOT(band)= -1.772563 trlgG= -2.468446 logG= -0.687219 TDE= -4.587870 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101336 tlogG= -0.588167 logG= -0.689503 Density= 3.497742 ETOT(band)= -1.773993 trlgG= -2.473142 logG= -0.689503 TDE= -4.590284 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101336 tlogG= -0.587399 logG= -0.688736 Density= 3.497661 ETOT(band)= -1.773564 trlgG= -2.472045 logG= -0.688736 TDE= -4.589890 logGD-logG0= -0.101827 tlogG= -0.582437 logG= -0.684264 Density= 3.499080 ETOT(band)= -1.768940 trlgG= -2.463899 logG= -0.684264 TDE= -4.587354 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102459 tlogG= -0.575579 logG= -0.678038 Density= 3.500306 ETOT(band)= -1.763213 trlgG= -2.454629 logG= -0.678038 TDE= -4.585293 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102929 tlogG= -0.573848 logG= -0.676777 Density= 3.501432 ETOT(band)= -1.760977 trlgG= -2.452218 logG= -0.676777 TDE= -4.585047 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101386 tlogG= -0.585558 logG= -0.686943 Density= 3.497859 ETOT(band)= -1.772188 trlgG= -2.468686 logG= -0.686943 TDE= -4.588482 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101234 tlogG= -0.590310 logG= -0.691543 Density= 3.497460 ETOT(band)= -1.775651 trlgG= -2.476599 logG= -0.691543 TDE= -4.591474 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101134 tlogG= -0.588278 logG= -0.689412 Density= 3.497331 ETOT(band)= -1.774534 trlgG= -2.471655 logG= -0.689412 TDE= -4.588559 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101523 tlogG= -0.585466 logG= -0.686989 Density= 3.498479 ETOT(band)= -1.771528 trlgG= -2.467228 logG= -0.686989 TDE= -4.587477 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101175 tlogG= -0.590439 logG= -0.691614 Density= 3.497250 ETOT(band)= -1.775961 trlgG= -2.476933 logG= -0.691614 TDE= -4.591570 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102118 tlogG= -0.580346 logG= -0.682464 Density= 3.499615 ETOT(band)= -1.767021 trlgG= -2.461935 logG= -0.682464 TDE= -4.587620 logGD-logG0= -0.101478 tlogG= -0.585711 logG= -0.687188 Density= 3.498484 ETOT(band)= -1.771710 trlgG= -2.466478 logG= -0.687188 TDE= -4.586531 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101505 tlogG= -0.585054 logG= -0.686560 Density= 3.498162 ETOT(band)= -1.771542 trlgG= -2.468362 logG= -0.686560 TDE= -4.588785 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101377 tlogG= -0.589720 logG= -0.691097 Density= 3.497756 ETOT(band)= -1.774955 trlgG= -2.476148 logG= -0.691097 TDE= -4.591707 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102410 tlogG= -0.577460 logG= -0.679870 Density= 3.500223 ETOT(band)= -1.764509 trlgG= -2.457641 logG= -0.679870 TDE= -4.586407 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102318 tlogG= -0.578014 logG= -0.680333 Density= 3.500065 ETOT(band)= -1.765072 trlgG= -2.458014 logG= -0.680333 TDE= -4.586191 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101769 tlogG= -0.582286 logG= -0.684055 Density= 3.498747 ETOT(band)= -1.769126 trlgG= -2.464605 logG= -0.684055 TDE= -4.588002 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101637 tlogG= -0.584518 logG= -0.686155 Density= 3.498434 ETOT(band)= -1.770906 trlgG= -2.468194 logG= -0.686155 TDE= -4.589240 logGD-logG0= -0.101732 tlogG= -0.582871 logG= -0.684603 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 Density= 3.498924 ETOT(band)= -1.769405 trlgG= -2.463854 logG= -0.684603 TDE= -4.586844 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101654 tlogG= -0.582792 logG= -0.684446 Density= 3.498506 ETOT(band)= -1.769725 trlgG= -2.464742 logG= -0.684446 TDE= -4.587554 logGD-logG0= -0.101935 tlogG= -0.581969 logG= -0.683904 Density= 3.499301 ETOT(band)= -1.768406 trlgG= -2.463785 logG= -0.683904 TDE= -4.587778 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101473 tlogG= -0.587592 logG= -0.689064 Density= 3.498026 ETOT(band)= -1.773314 trlgG= -2.472842 logG= -0.689064 TDE= -4.590651 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101586 tlogG= -0.585174 logG= -0.686760 Density= 3.498530 ETOT(band)= -1.771261 trlgG= -2.467563 logG= -0.686760 TDE= -4.588081 logGD-logG0= -0.102140 tlogG= -0.578674 logG= -0.680813 Density= 3.499676 ETOT(band)= -1.765886 trlgG= -2.458864 logG= -0.680813 TDE= -4.586247 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 Sum of eigenvalues= -1156.57391625992 eV TrLogG= -1610.74646433073 eV Ratio to renormalize= 1.000430740588 rho-rho_expected=-0.072333261837 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834717489944890 0.831846164212590 0.835134536555050 0.831758856043991 0.835301690458027 0.831680897465816 0.834968326732935 0.831735942840456 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100909 tlogG= -0.592807 logG= -0.693716 Density= 3.496990 ETOT(band)= -1.777823 trlgG= -2.480775 logG= -0.693716 TDE= -4.593101 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101943 tlogG= -0.578863 logG= -0.680806 Density= 3.499468 ETOT(band)= -1.766217 trlgG= -2.459091 logG= -0.680806 TDE= -4.586316 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101704 tlogG= -0.581585 logG= -0.683289 Density= 3.499008 ETOT(band)= -1.768480 trlgG= -2.462707 logG= -0.683289 TDE= -4.587079 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102119 tlogG= -0.578193 logG= -0.680311 Density= 3.499853 ETOT(band)= -1.765388 trlgG= -2.458245 logG= -0.680311 TDE= -4.586273 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101396 tlogG= -0.585053 logG= -0.686449 Density= 3.498226 ETOT(band)= -1.771494 trlgG= -2.468198 logG= -0.686449 TDE= -4.588782 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101270 tlogG= -0.587551 logG= -0.688821 Density= 3.498051 ETOT(band)= -1.773306 trlgG= -2.471084 logG= -0.688821 TDE= -4.589156 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101065 tlogG= -0.590438 logG= -0.691503 Density= 3.497313 ETOT(band)= -1.775913 trlgG= -2.476769 logG= -0.691503 TDE= -4.591567 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101108 tlogG= -0.588704 logG= -0.689812 Density= 3.497590 ETOT(band)= -1.774550 trlgG= -2.472959 logG= -0.689812 TDE= -4.589670 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101253 tlogG= -0.591438 logG= -0.692691 Density= 3.497682 ETOT(band)= -1.776173 trlgG= -2.479454 logG= -0.692691 TDE= -4.593361 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100994 tlogG= -0.590851 logG= -0.691845 Density= 3.497304 ETOT(band)= -1.776210 trlgG= -2.476843 logG= -0.691845 TDE= -4.591292 logGD-logG0= -0.101217 tlogG= -0.589827 logG= -0.691044 Density= 3.497627 ETOT(band)= -1.775179 trlgG= -2.476330 logG= -0.691044 TDE= -4.591839 logGD-logG0= -0.101446 tlogG= -0.583257 logG= -0.684703 Density= 3.498392 ETOT(band)= -1.770198 trlgG= -2.464501 logG= -0.684703 TDE= -4.586965 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101276 tlogG= -0.585557 logG= -0.686833 Density= 3.497923 ETOT(band)= -1.772140 trlgG= -2.468522 logG= -0.686833 TDE= -4.588480 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101134 tlogG= -0.586206 logG= -0.687341 Density= 3.497753 ETOT(band)= -1.772798 trlgG= -2.467240 logG= -0.687341 TDE= -4.586554 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102209 tlogG= -0.578013 logG= -0.680223 Density= 3.500131 ETOT(band)= -1.765024 trlgG= -2.457849 logG= -0.680223 TDE= -4.586188 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101853 tlogG= -0.580993 logG= -0.682846 Density= 3.499315 ETOT(band)= -1.767772 trlgG= -2.462203 logG= -0.682846 TDE= -4.587265 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101227 tlogG= -0.587398 logG= -0.688625 Density= 3.497725 ETOT(band)= -1.773516 trlgG= -2.471881 logG= -0.688625 TDE= -4.589887 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101185 tlogG= -0.587922 logG= -0.689107 Density= 3.497950 ETOT(band)= -1.773668 trlgG= -2.470846 logG= -0.689107 TDE= -4.588552 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101718 tlogG= -0.582436 logG= -0.684153 Density= 3.499143 ETOT(band)= -1.768893 trlgG= -2.463736 logG= -0.684153 TDE= -4.587352 logGD-logG0= -0.101024 tlogG= -0.588277 logG= -0.689301 Density= 3.497393 ETOT(band)= -1.774486 trlgG= -2.471492 logG= -0.689301 TDE= -4.588557 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101295 tlogG= -0.585560 logG= -0.686855 Density= 3.498039 ETOT(band)= -1.772061 trlgG= -2.467962 logG= -0.686855 TDE= -4.587991 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101613 tlogG= -0.584340 logG= -0.685954 Density= 3.498805 ETOT(band)= -1.770446 trlgG= -2.467555 logG= -0.685954 TDE= -4.589100 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102009 tlogG= -0.580345 logG= -0.682354 Density= 3.499681 ETOT(band)= -1.766972 trlgG= -2.461770 logG= -0.682354 TDE= -4.587618 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101123 tlogG= -0.587866 logG= -0.688989 Density= 3.497536 ETOT(band)= -1.774047 trlgG= -2.471942 logG= -0.688989 TDE= -4.589433 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101065 tlogG= -0.592141 logG= -0.693206 Density= 3.497282 ETOT(band)= -1.777041 trlgG= -2.480060 logG= -0.693206 TDE= -4.593130 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100926 tlogG= -0.591001 logG= -0.691927 Density= 3.497079 ETOT(band)= -1.776556 trlgG= -2.477109 logG= -0.691927 TDE= -4.591296 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101395 tlogG= -0.585339 logG= -0.686734 Density= 3.498384 ETOT(band)= -1.771570 trlgG= -2.467529 logG= -0.686734 TDE= -4.587955 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101200 tlogG= -0.585908 logG= -0.687108 Density= 3.497802 ETOT(band)= -1.772515 trlgG= -2.468282 logG= -0.687108 TDE= -4.587868 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101355 tlogG= -0.587131 logG= -0.688486 Density= 3.498202 ETOT(band)= -1.772858 trlgG= -2.471038 logG= -0.688486 TDE= -4.589567 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101124 tlogG= -0.590309 logG= -0.691433 Density= 3.497523 ETOT(band)= -1.775603 trlgG= -2.476435 logG= -0.691433 TDE= -4.591472 logGD-logG0= -0.101489 tlogG= -0.584851 logG= -0.686341 Density= 3.498550 ETOT(band)= -1.771037 trlgG= -2.467690 logG= -0.686341 TDE= -4.588643 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101527 tlogG= -0.584517 logG= -0.686045 Density= 3.498499 ETOT(band)= -1.770858 trlgG= -2.468030 logG= -0.686045 TDE= -4.589238 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101660 tlogG= -0.582285 logG= -0.683945 Density= 3.498812 ETOT(band)= -1.769078 trlgG= -2.464440 logG= -0.683945 TDE= -4.587999 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102821 tlogG= -0.573847 logG= -0.676668 Density= 3.501500 ETOT(band)= -1.760928 trlgG= -2.452052 logG= -0.676668 TDE= -4.585044 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101367 tlogG= -0.585710 logG= -0.687077 Density= 3.498544 ETOT(band)= -1.771664 trlgG= -2.466316 logG= -0.687077 TDE= -4.586528 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101268 tlogG= -0.589719 logG= -0.690987 Density= 3.497820 ETOT(band)= -1.774907 trlgG= -2.475984 logG= -0.690987 TDE= -4.591704 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101227 tlogG= -0.588166 logG= -0.689393 Density= 3.497805 ETOT(band)= -1.773946 trlgG= -2.472978 logG= -0.689393 TDE= -4.590282 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101826 tlogG= -0.581968 logG= -0.683794 Density= 3.499366 ETOT(band)= -1.768358 trlgG= -2.463621 logG= -0.683794 TDE= -4.587775 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101623 tlogG= -0.582870 logG= -0.684492 Density= 3.498985 ETOT(band)= -1.769359 trlgG= -2.463691 logG= -0.684492 TDE= -4.586841 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102395 tlogG= -0.577289 logG= -0.679683 Density= 3.500574 ETOT(band)= -1.764110 trlgG= -2.457117 logG= -0.679683 TDE= -4.586351 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102351 tlogG= -0.575578 logG= -0.677928 Density= 3.500372 ETOT(band)= -1.763165 trlgG= -2.454463 logG= -0.677928 TDE= -4.585291 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102030 tlogG= -0.578673 logG= -0.680703 Density= 3.499740 ETOT(band)= -1.765838 trlgG= -2.458699 logG= -0.680703 TDE= -4.586245 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101363 tlogG= -0.587591 logG= -0.688954 Density= 3.498090 ETOT(band)= -1.773266 trlgG= -2.472678 logG= -0.688954 TDE= -4.590648 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101544 tlogG= -0.582791 logG= -0.684335 Density= 3.498570 ETOT(band)= -1.769676 trlgG= -2.464577 logG= -0.684335 TDE= -4.587552 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102582 tlogG= -0.574733 logG= -0.677315 Density= 3.500909 ETOT(band)= -1.762084 trlgG= -2.453172 logG= -0.677315 TDE= -4.585043 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101476 tlogG= -0.585173 logG= -0.686649 Density= 3.498593 ETOT(band)= -1.771213 trlgG= -2.467399 logG= -0.686649 TDE= -4.588078 logGD-logG0= -0.101413 tlogG= -0.585465 logG= -0.686878 Density= 3.498541 ETOT(band)= -1.771482 trlgG= -2.467066 logG= -0.686878 TDE= -4.587474 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102301 tlogG= -0.577459 logG= -0.679760 Density= 3.500290 ETOT(band)= -1.764459 trlgG= -2.457475 logG= -0.679760 TDE= -4.586405 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 Sum of eigenvalues= -1156.54259944426 eV TrLogG= -1610.67273820597 eV Ratio to renormalize= 1.000412495446 rho-rho_expected=-0.069270661024 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834712165190540 0.831840778259197 0.835129225018140 0.831753461895275 0.835296414762424 0.831675488854071 0.834963020568588 0.831730545893010 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101169 tlogG= -0.591436 logG= -0.692605 Density= 3.497675 ETOT(band)= -1.776168 trlgG= -2.479361 logG= -0.692605 TDE= -4.593347 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101101 tlogG= -0.587920 logG= -0.689021 Density= 3.497945 ETOT(band)= -1.773662 trlgG= -2.470750 logG= -0.689021 TDE= -4.588537 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101362 tlogG= -0.583255 logG= -0.684617 Density= 3.498386 ETOT(band)= -1.770192 trlgG= -2.464404 logG= -0.684617 TDE= -4.586949 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100825 tlogG= -0.592805 logG= -0.693630 Density= 3.496983 ETOT(band)= -1.777819 trlgG= -2.480681 logG= -0.693630 TDE= -4.593087 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101311 tlogG= -0.585337 logG= -0.686648 Density= 3.498379 ETOT(band)= -1.771564 trlgG= -2.467431 logG= -0.686648 TDE= -4.587939 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101050 tlogG= -0.586204 logG= -0.687255 Density= 3.497746 ETOT(band)= -1.772792 trlgG= -2.467144 logG= -0.687255 TDE= -4.586538 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101405 tlogG= -0.584849 logG= -0.686255 Density= 3.498544 ETOT(band)= -1.771032 trlgG= -2.467594 logG= -0.686255 TDE= -4.588628 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101186 tlogG= -0.587549 logG= -0.688735 Density= 3.498045 ETOT(band)= -1.773301 trlgG= -2.470988 logG= -0.688735 TDE= -4.589141 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100940 tlogG= -0.588275 logG= -0.689215 Density= 3.497387 ETOT(band)= -1.774481 trlgG= -2.471396 logG= -0.689215 TDE= -4.588542 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101769 tlogG= -0.580991 logG= -0.682760 Density= 3.499310 ETOT(band)= -1.767767 trlgG= -2.462106 logG= -0.682760 TDE= -4.587249 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100910 tlogG= -0.590849 logG= -0.691760 Density= 3.497298 ETOT(band)= -1.776205 trlgG= -2.476748 logG= -0.691760 TDE= -4.591277 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101620 tlogG= -0.581584 logG= -0.683204 Density= 3.499003 ETOT(band)= -1.768475 trlgG= -2.462610 logG= -0.683204 TDE= -4.587063 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101040 tlogG= -0.590307 logG= -0.691347 Density= 3.497516 ETOT(band)= -1.775598 trlgG= -2.476340 logG= -0.691347 TDE= -4.591458 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102311 tlogG= -0.577287 logG= -0.679598 Density= 3.500569 ETOT(band)= -1.764104 trlgG= -2.457020 logG= -0.679598 TDE= -4.586336 logGD-logG0= -0.100842 tlogG= -0.590999 logG= -0.691841 Density= 3.497072 ETOT(band)= -1.776551 trlgG= -2.477015 logG= -0.691841 TDE= -4.591281 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102035 tlogG= -0.578191 logG= -0.680226 Density= 3.499848 ETOT(band)= -1.765382 trlgG= -2.458149 logG= -0.680226 TDE= -4.586258 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101133 tlogG= -0.589825 logG= -0.690958 Density= 3.497620 ETOT(band)= -1.775175 trlgG= -2.476236 logG= -0.690958 TDE= -4.591825 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101279 tlogG= -0.587589 logG= -0.688868 Density= 3.498084 ETOT(band)= -1.773261 trlgG= -2.472582 logG= -0.688868 TDE= -4.590633 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101192 tlogG= -0.585555 logG= -0.686747 Density= 3.497917 ETOT(band)= -1.772135 trlgG= -2.468426 logG= -0.686747 TDE= -4.588464 logGD-logG0= -0.102266 tlogG= -0.575576 logG= -0.677843 Density= 3.500367 ETOT(band)= -1.763160 trlgG= -2.454365 logG= -0.677843 TDE= -4.585275 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101024 tlogG= -0.588702 logG= -0.689726 Density= 3.497584 ETOT(band)= -1.774546 trlgG= -2.472863 logG= -0.689726 TDE= -4.589655 logGD-logG0= -0.102125 tlogG= -0.578012 logG= -0.680137 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 Density= 3.500126 ETOT(band)= -1.765018 trlgG= -2.457752 logG= -0.680137 TDE= -4.586174 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.100981 tlogG= -0.592139 logG= -0.693120 Density= 3.497275 ETOT(band)= -1.777036 trlgG= -2.479966 logG= -0.693120 TDE= -4.593116 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101039 tlogG= -0.587864 logG= -0.688903 Density= 3.497529 ETOT(band)= -1.774043 trlgG= -2.471847 logG= -0.688903 TDE= -4.589418 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101539 tlogG= -0.582868 logG= -0.684407 Density= 3.498980 ETOT(band)= -1.769352 trlgG= -2.463593 logG= -0.684407 TDE= -4.586826 logGD-logG0= -0.101329 tlogG= -0.585463 logG= -0.686792 Density= 3.498536 ETOT(band)= -1.771476 trlgG= -2.466968 logG= -0.686792 TDE= -4.587458 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101392 tlogG= -0.585171 logG= -0.686563 Density= 3.498588 ETOT(band)= -1.771208 trlgG= -2.467302 logG= -0.686563 TDE= -4.588063 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102737 tlogG= -0.573846 logG= -0.676582 Density= 3.501496 ETOT(band)= -1.760922 trlgG= -2.451955 logG= -0.676582 TDE= -4.585030 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101575 tlogG= -0.582284 logG= -0.683859 Density= 3.498806 ETOT(band)= -1.769073 trlgG= -2.464344 logG= -0.683859 TDE= -4.587984 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101143 tlogG= -0.587397 logG= -0.688539 Density= 3.497719 ETOT(band)= -1.773511 trlgG= -2.471785 logG= -0.688539 TDE= -4.589872 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101742 tlogG= -0.581967 logG= -0.683709 Density= 3.499361 ETOT(band)= -1.768353 trlgG= -2.463524 logG= -0.683709 TDE= -4.587760 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101211 tlogG= -0.585558 logG= -0.686769 Density= 3.498033 ETOT(band)= -1.772056 trlgG= -2.467865 logG= -0.686769 TDE= -4.587975 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100981 tlogG= -0.590436 logG= -0.691418 Density= 3.497306 ETOT(band)= -1.775909 trlgG= -2.476675 logG= -0.691418 TDE= -4.591553 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101859 tlogG= -0.578861 logG= -0.680720 Density= 3.499463 ETOT(band)= -1.766212 trlgG= -2.458994 logG= -0.680720 TDE= -4.586300 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101529 tlogG= -0.584338 logG= -0.685868 Density= 3.498799 ETOT(band)= -1.770440 trlgG= -2.467459 logG= -0.685868 TDE= -4.589085 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101143 tlogG= -0.588164 logG= -0.689307 Density= 3.497799 ETOT(band)= -1.773941 trlgG= -2.472882 logG= -0.689307 TDE= -4.590267 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102498 tlogG= -0.574731 logG= -0.677230 Density= 3.500905 ETOT(band)= -1.762079 trlgG= -2.453074 logG= -0.677230 TDE= -4.585028 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101444 tlogG= -0.584515 logG= -0.685959 Density= 3.498493 ETOT(band)= -1.770853 trlgG= -2.467933 logG= -0.685959 TDE= -4.589222 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101271 tlogG= -0.587129 logG= -0.688400 Density= 3.498196 ETOT(band)= -1.772852 trlgG= -2.470942 logG= -0.688400 TDE= -4.589551 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101460 tlogG= -0.582789 logG= -0.684249 Density= 3.498564 ETOT(band)= -1.769671 trlgG= -2.464481 logG= -0.684249 TDE= -4.587537 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101116 tlogG= -0.585906 logG= -0.687022 Density= 3.497796 ETOT(band)= -1.772510 trlgG= -2.468186 logG= -0.687022 TDE= -4.587853 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101634 tlogG= -0.582434 logG= -0.684068 Density= 3.499138 ETOT(band)= -1.768887 trlgG= -2.463638 logG= -0.684068 TDE= -4.587337 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101184 tlogG= -0.589717 logG= -0.690901 Density= 3.497813 ETOT(band)= -1.774902 trlgG= -2.475889 logG= -0.690901 TDE= -4.591690 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101283 tlogG= -0.585708 logG= -0.686991 Density= 3.498539 ETOT(band)= -1.771658 trlgG= -2.466218 logG= -0.686991 TDE= -4.586512 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101312 tlogG= -0.585052 logG= -0.686364 Density= 3.498220 ETOT(band)= -1.771489 trlgG= -2.468102 logG= -0.686364 TDE= -4.588767 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102217 tlogG= -0.577457 logG= -0.679675 Density= 3.500285 ETOT(band)= -1.764454 trlgG= -2.457379 logG= -0.679675 TDE= -4.586390 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101946 tlogG= -0.578671 logG= -0.680618 Density= 3.499736 ETOT(band)= -1.765832 trlgG= -2.458601 logG= -0.680618 TDE= -4.586229 logGD-logG0= -0.101925 tlogG= -0.580343 logG= -0.682268 Density= 3.499676 ETOT(band)= -1.766967 trlgG= -2.461673 logG= -0.682268 TDE= -4.587602 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Sum of eigenvalues= -1156.53920844441 eV TrLogG= -1610.60684466561 eV Ratio to renormalize= 1.000414125181 rho-rho_expected=-0.069544230389 nargs= 1 argi=dmft2.def 30) Finished k-point number 31 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 32) Finished k-point number 33 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= 105 13) Finished k-point number 14 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834730646176628 0.831859600912672 0.835147678656835 0.831772313484186 0.835314741730102 0.831694400883125 0.834981445732213 0.831749423577765 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101869 tlogG= -0.578843 logG= -0.680712 Density= 3.499486 ETOT(band)= -1.766215 trlgG= -2.458993 logG= -0.680712 TDE= -4.586326 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100920 tlogG= -0.590831 logG= -0.691751 Density= 3.497321 ETOT(band)= -1.776208 trlgG= -2.476742 logG= -0.691751 TDE= -4.591299 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.100835 tlogG= -0.592787 logG= -0.693621 Density= 3.497006 ETOT(band)= -1.777821 trlgG= -2.480675 logG= -0.693621 TDE= -4.593108 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101048 tlogG= -0.587846 logG= -0.688894 Density= 3.497552 ETOT(band)= -1.774045 trlgG= -2.471843 logG= -0.688894 TDE= -4.589442 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101142 tlogG= -0.589807 logG= -0.690949 Density= 3.497643 ETOT(band)= -1.775177 trlgG= -2.476228 logG= -0.690949 TDE= -4.591845 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101060 tlogG= -0.586187 logG= -0.687246 Density= 3.497769 ETOT(band)= -1.772796 trlgG= -2.467141 logG= -0.687246 TDE= -4.586562 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101179 tlogG= -0.591418 logG= -0.692596 Density= 3.497698 ETOT(band)= -1.776170 trlgG= -2.479351 logG= -0.692596 TDE= -4.593365 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101110 tlogG= -0.587902 logG= -0.689012 Density= 3.497968 ETOT(band)= -1.773665 trlgG= -2.470746 logG= -0.689012 TDE= -4.588560 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101321 tlogG= -0.585319 logG= -0.686640 Density= 3.498402 ETOT(band)= -1.771567 trlgG= -2.467429 logG= -0.686640 TDE= -4.587964 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101152 tlogG= -0.587378 logG= -0.688531 Density= 3.497742 ETOT(band)= -1.773513 trlgG= -2.471781 logG= -0.688531 TDE= -4.589896 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101585 tlogG= -0.582265 logG= -0.683851 Density= 3.498829 ETOT(band)= -1.769075 trlgG= -2.464340 logG= -0.683851 TDE= -4.588007 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101152 tlogG= -0.588146 logG= -0.689298 Density= 3.497822 ETOT(band)= -1.773943 trlgG= -2.472879 logG= -0.689298 TDE= -4.590290 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101630 tlogG= -0.581566 logG= -0.683195 Density= 3.499026 ETOT(band)= -1.768478 trlgG= -2.462609 logG= -0.683195 TDE= -4.587089 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101195 tlogG= -0.587532 logG= -0.688727 Density= 3.498068 ETOT(band)= -1.773304 trlgG= -2.470984 logG= -0.688727 TDE= -4.589164 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101453 tlogG= -0.584497 logG= -0.685950 Density= 3.498516 ETOT(band)= -1.770856 trlgG= -2.467930 logG= -0.685950 TDE= -4.589246 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101372 tlogG= -0.583237 logG= -0.684609 Density= 3.498409 ETOT(band)= -1.770195 trlgG= -2.464403 logG= -0.684609 TDE= -4.586975 logGD-logG0= -0.101643 tlogG= -0.582416 logG= -0.684059 Density= 3.499161 ETOT(band)= -1.768890 trlgG= -2.463635 logG= -0.684059 TDE= -4.587360 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101221 tlogG= -0.585540 logG= -0.686761 Density= 3.498056 ETOT(band)= -1.772059 trlgG= -2.467863 logG= -0.686761 TDE= -4.588000 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100991 tlogG= -0.592121 logG= -0.693112 Density= 3.497298 ETOT(band)= -1.777038 trlgG= -2.479959 logG= -0.693112 TDE= -4.593136 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101935 tlogG= -0.580325 logG= -0.682259 Density= 3.499699 ETOT(band)= -1.766969 trlgG= -2.461669 logG= -0.682259 TDE= -4.587626 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101539 tlogG= -0.584320 logG= -0.685859 Density= 3.498822 ETOT(band)= -1.770443 trlgG= -2.467455 logG= -0.685859 TDE= -4.589108 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100852 tlogG= -0.590981 logG= -0.691833 Density= 3.497095 ETOT(band)= -1.776554 trlgG= -2.477009 logG= -0.691833 TDE= -4.591303 logGD-logG0= -0.101034 tlogG= -0.588684 logG= -0.689718 Density= 3.497607 ETOT(band)= -1.774549 trlgG= -2.472859 logG= -0.689718 TDE= -4.589679 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102227 tlogG= -0.577439 logG= -0.679666 Density= 3.500308 ETOT(band)= -1.764457 trlgG= -2.457373 logG= -0.679666 TDE= -4.586412 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101415 tlogG= -0.584831 logG= -0.686246 Density= 3.498567 ETOT(band)= -1.771035 trlgG= -2.467591 logG= -0.686246 TDE= -4.588652 logGD-logG0= -0.101280 tlogG= -0.587111 logG= -0.688392 Density= 3.498219 ETOT(band)= -1.772855 trlgG= -2.470938 logG= -0.688392 TDE= -4.589575 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101194 tlogG= -0.589699 logG= -0.690893 Density= 3.497836 ETOT(band)= -1.774904 trlgG= -2.475881 logG= -0.690893 TDE= -4.591710 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101779 tlogG= -0.580973 logG= -0.682752 Density= 3.499333 ETOT(band)= -1.767769 trlgG= -2.462102 logG= -0.682752 TDE= -4.587273 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101293 tlogG= -0.585690 logG= -0.686983 Density= 3.498562 ETOT(band)= -1.771661 trlgG= -2.466217 logG= -0.686983 TDE= -4.586537 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101321 tlogG= -0.585034 logG= -0.686355 Density= 3.498243 ETOT(band)= -1.771492 trlgG= -2.468099 logG= -0.686355 TDE= -4.588791 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101956 tlogG= -0.578653 logG= -0.680609 Density= 3.499759 ETOT(band)= -1.765835 trlgG= -2.458600 logG= -0.680609 TDE= -4.586255 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100991 tlogG= -0.590418 logG= -0.691409 Density= 3.497330 ETOT(band)= -1.775911 trlgG= -2.476668 logG= -0.691409 TDE= -4.591573 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101338 tlogG= -0.585445 logG= -0.686784 Density= 3.498559 ETOT(band)= -1.771479 trlgG= -2.466967 logG= -0.686784 TDE= -4.587484 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100949 tlogG= -0.588257 logG= -0.689207 Density= 3.497409 ETOT(band)= -1.774484 trlgG= -2.471393 logG= -0.689207 TDE= -4.588565 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102044 tlogG= -0.578173 logG= -0.680217 Density= 3.499871 ETOT(band)= -1.765385 trlgG= -2.458144 logG= -0.680217 TDE= -4.586281 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101470 tlogG= -0.582771 logG= -0.684241 Density= 3.498587 ETOT(band)= -1.769674 trlgG= -2.464478 logG= -0.684241 TDE= -4.587560 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102276 tlogG= -0.575558 logG= -0.677834 Density= 3.500390 ETOT(band)= -1.763162 trlgG= -2.454364 logG= -0.677834 TDE= -4.585300 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102747 tlogG= -0.573827 logG= -0.676573 Density= 3.501519 ETOT(band)= -1.760925 trlgG= -2.451949 logG= -0.676573 TDE= -4.585052 logGD-logG0= -0.101201 tlogG= -0.585537 logG= -0.686738 Density= 3.497940 ETOT(band)= -1.772138 trlgG= -2.468423 logG= -0.686738 TDE= -4.588488 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101548 tlogG= -0.582850 logG= -0.684398 Density= 3.499003 ETOT(band)= -1.769356 trlgG= -2.463592 logG= -0.684398 TDE= -4.586851 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102508 tlogG= -0.574713 logG= -0.677221 Density= 3.500928 ETOT(band)= -1.762081 trlgG= -2.453070 logG= -0.677221 TDE= -4.585051 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101751 tlogG= -0.581949 logG= -0.683700 Density= 3.499384 ETOT(band)= -1.768356 trlgG= -2.463520 logG= -0.683700 TDE= -4.587784 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101050 tlogG= -0.590289 logG= -0.691338 Density= 3.497539 ETOT(band)= -1.775601 trlgG= -2.476334 logG= -0.691338 TDE= -4.591478 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102320 tlogG= -0.577269 logG= -0.679589 Density= 3.500593 ETOT(band)= -1.764107 trlgG= -2.457015 logG= -0.679589 TDE= -4.586359 logGD-logG0= -0.102135 tlogG= -0.577993 logG= -0.680128 Density= 3.500149 ETOT(band)= -1.765021 trlgG= -2.457747 logG= -0.680128 TDE= -4.586196 logGD-logG0= -0.101125 tlogG= -0.585889 logG= -0.687014 Density= 3.497818 ETOT(band)= -1.772513 trlgG= -2.468183 logG= -0.687014 TDE= -4.587876 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101402 tlogG= -0.585153 logG= -0.686555 Density= 3.498611 ETOT(band)= -1.771210 trlgG= -2.467300 logG= -0.686555 TDE= -4.588088 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101289 tlogG= -0.587571 logG= -0.688860 Density= 3.498107 ETOT(band)= -1.773263 trlgG= -2.472578 logG= -0.688860 TDE= -4.590657 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.54106041192 eV TrLogG= -1610.61639127103 eV Ratio to renormalize= 1.000407537454 rho-rho_expected=-0.068438401085 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 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 45) Finished k-point number 46 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 46) Finished k-point number 47 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= 0.834716023126988 0.831844878488597 0.835133098925634 0.831757564066334 0.835300254556794 0.831679619525112 0.834966876093349 0.831734674172145 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100826 tlogG= -0.592782 logG= -0.693609 Density= 3.496985 ETOT(band)= -1.777791 trlgG= -2.480631 logG= -0.693609 TDE= -4.593061 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100843 tlogG= -0.590976 logG= -0.691820 Density= 3.497075 ETOT(band)= -1.776524 trlgG= -2.476965 logG= -0.691820 TDE= -4.591256 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101363 tlogG= -0.583232 logG= -0.684596 Density= 3.498389 ETOT(band)= -1.770164 trlgG= -2.464355 logG= -0.684596 TDE= -4.586924 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101860 tlogG= -0.578838 logG= -0.680699 Density= 3.499466 ETOT(band)= -1.766184 trlgG= -2.458944 logG= -0.680699 TDE= -4.586275 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101770 tlogG= -0.580968 logG= -0.682739 Density= 3.499313 ETOT(band)= -1.767738 trlgG= -2.462057 logG= -0.682739 TDE= -4.587224 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101212 tlogG= -0.585535 logG= -0.686748 Density= 3.498036 ETOT(band)= -1.772028 trlgG= -2.467816 logG= -0.686748 TDE= -4.587950 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101407 tlogG= -0.584827 logG= -0.686233 Density= 3.498547 ETOT(band)= -1.771004 trlgG= -2.467545 logG= -0.686233 TDE= -4.588603 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101170 tlogG= -0.591413 logG= -0.692583 Density= 3.497678 ETOT(band)= -1.776140 trlgG= -2.479311 logG= -0.692583 TDE= -4.593321 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.100911 tlogG= -0.590827 logG= -0.691738 Density= 3.497300 ETOT(band)= -1.776177 trlgG= -2.476699 logG= -0.691738 TDE= -4.591252 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101144 tlogG= -0.587374 logG= -0.688518 Density= 3.497721 ETOT(band)= -1.773483 trlgG= -2.471736 logG= -0.688518 TDE= -4.589847 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101193 tlogG= -0.585532 logG= -0.686725 Density= 3.497919 ETOT(band)= -1.772107 trlgG= -2.468377 logG= -0.686725 TDE= -4.588439 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101051 tlogG= -0.586182 logG= -0.687233 Density= 3.497749 ETOT(band)= -1.772764 trlgG= -2.467095 logG= -0.687233 TDE= -4.586513 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101025 tlogG= -0.588680 logG= -0.689705 Density= 3.497587 ETOT(band)= -1.774518 trlgG= -2.472814 logG= -0.689705 TDE= -4.589630 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101743 tlogG= -0.581944 logG= -0.683687 Density= 3.499364 ETOT(band)= -1.768324 trlgG= -2.463474 logG= -0.683687 TDE= -4.587734 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101621 tlogG= -0.581561 logG= -0.683182 Density= 3.499005 ETOT(band)= -1.768447 trlgG= -2.462561 logG= -0.683182 TDE= -4.587038 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101280 tlogG= -0.587566 logG= -0.688847 Density= 3.498086 ETOT(band)= -1.773233 trlgG= -2.472532 logG= -0.688847 TDE= -4.590608 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101144 tlogG= -0.588141 logG= -0.689285 Density= 3.497802 ETOT(band)= -1.773913 trlgG= -2.472833 logG= -0.689285 TDE= -4.590241 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102036 tlogG= -0.578168 logG= -0.680204 Density= 3.499851 ETOT(band)= -1.765354 trlgG= -2.458099 logG= -0.680204 TDE= -4.586233 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.100941 tlogG= -0.588252 logG= -0.689193 Density= 3.497389 ETOT(band)= -1.774453 trlgG= -2.471347 logG= -0.689193 TDE= -4.588516 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101272 tlogG= -0.587107 logG= -0.688379 Density= 3.498199 ETOT(band)= -1.772825 trlgG= -2.470893 logG= -0.688379 TDE= -4.589526 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101312 tlogG= -0.585315 logG= -0.686627 Density= 3.498381 ETOT(band)= -1.771536 trlgG= -2.467382 logG= -0.686627 TDE= -4.587914 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101926 tlogG= -0.580320 logG= -0.682246 Density= 3.499679 ETOT(band)= -1.766938 trlgG= -2.461624 logG= -0.682246 TDE= -4.587577 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100982 tlogG= -0.590414 logG= -0.691396 Density= 3.497309 ETOT(band)= -1.775881 trlgG= -2.476625 logG= -0.691396 TDE= -4.591527 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101330 tlogG= -0.585440 logG= -0.686770 Density= 3.498538 ETOT(band)= -1.771448 trlgG= -2.466919 logG= -0.686770 TDE= -4.587433 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101134 tlogG= -0.589803 logG= -0.690936 Density= 3.497623 ETOT(band)= -1.775147 trlgG= -2.476186 logG= -0.690936 TDE= -4.591800 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101284 tlogG= -0.585685 logG= -0.686970 Density= 3.498542 ETOT(band)= -1.771630 trlgG= -2.466169 logG= -0.686970 TDE= -4.586487 logGD-logG0= -0.102268 tlogG= -0.575553 logG= -0.677821 Density= 3.500370 ETOT(band)= -1.763131 trlgG= -2.454316 logG= -0.677821 TDE= -4.585249 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102738 tlogG= -0.573822 logG= -0.676560 Density= 3.501498 ETOT(band)= -1.760894 trlgG= -2.451905 logG= -0.676560 TDE= -4.585004 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.101041 tlogG= -0.590284 logG= -0.691326 Density= 3.497519 ETOT(band)= -1.775570 trlgG= -2.476291 logG= -0.691326 TDE= -4.591432 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101102 tlogG= -0.587897 logG= -0.688999 Density= 3.497947 ETOT(band)= -1.773634 trlgG= -2.470701 logG= -0.688999 TDE= -4.588512 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100982 tlogG= -0.592117 logG= -0.693099 Density= 3.497277 ETOT(band)= -1.777008 trlgG= -2.479917 logG= -0.693099 TDE= -4.593090 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101393 tlogG= -0.585148 logG= -0.686542 Density= 3.498591 ETOT(band)= -1.771180 trlgG= -2.467253 logG= -0.686542 TDE= -4.588038 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101185 tlogG= -0.589695 logG= -0.690880 Density= 3.497816 ETOT(band)= -1.774874 trlgG= -2.475840 logG= -0.690880 TDE= -4.591665 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101461 tlogG= -0.582766 logG= -0.684228 Density= 3.498567 ETOT(band)= -1.769643 trlgG= -2.464432 logG= -0.684228 TDE= -4.587511 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101540 tlogG= -0.582845 logG= -0.684385 Density= 3.498983 ETOT(band)= -1.769324 trlgG= -2.463544 logG= -0.684385 TDE= -4.586800 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101635 tlogG= -0.582411 logG= -0.684046 Density= 3.499141 ETOT(band)= -1.768859 trlgG= -2.463589 logG= -0.684046 TDE= -4.587311 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101948 tlogG= -0.578648 logG= -0.680596 Density= 3.499739 ETOT(band)= -1.765804 trlgG= -2.458552 logG= -0.680596 TDE= -4.586204 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101187 tlogG= -0.587527 logG= -0.688714 Density= 3.498048 ETOT(band)= -1.773273 trlgG= -2.470938 logG= -0.688714 TDE= -4.589115 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101445 tlogG= -0.584493 logG= -0.685937 Density= 3.498495 ETOT(band)= -1.770825 trlgG= -2.467884 logG= -0.685937 TDE= -4.589197 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101577 tlogG= -0.582261 logG= -0.683837 Density= 3.498809 ETOT(band)= -1.769045 trlgG= -2.464295 logG= -0.683837 TDE= -4.587958 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101530 tlogG= -0.584316 logG= -0.685846 Density= 3.498802 ETOT(band)= -1.770412 trlgG= -2.467409 logG= -0.685846 TDE= -4.589059 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101040 tlogG= -0.587841 logG= -0.688881 Density= 3.497532 ETOT(band)= -1.774015 trlgG= -2.471798 logG= -0.688881 TDE= -4.589393 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102126 tlogG= -0.577989 logG= -0.680115 logGD-logG0= -0.101117 tlogG= -0.585884 logG= -0.687000 Density= 3.497798 ETOT(band)= -1.772482 trlgG= -2.468137 logG= -0.687000 TDE= -4.587827 Density= 3.500129 ETOT(band)= -1.764990 trlgG= -2.457702 logG= -0.680115 TDE= -4.586148 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102218 tlogG= -0.577434 logG= -0.679653 Density= 3.500288 ETOT(band)= -1.764426 trlgG= -2.457329 logG= -0.679653 TDE= -4.586364 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102499 tlogG= -0.574708 logG= -0.677208 Density= 3.500908 ETOT(band)= -1.762050 trlgG= -2.453024 logG= -0.677208 TDE= -4.585002 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101313 tlogG= -0.585029 logG= -0.686342 Density= 3.498222 ETOT(band)= -1.771461 trlgG= -2.468053 logG= -0.686342 TDE= -4.588742 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102312 tlogG= -0.577264 logG= -0.679576 Density= 3.500572 ETOT(band)= -1.764076 trlgG= -2.456970 logG= -0.679576 TDE= -4.586311 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Sum of eigenvalues= -1156.52089990342 eV TrLogG= -1610.57605908738 eV Ratio to renormalize= 1.000413355621 rho-rho_expected=-0.069415051262 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 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= 105 3) Finished k-point number 4 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= 105 37) Finished k-point number 38 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834716118384530 0.831844998968573 0.835133191386290 0.831757684124869 0.835300345352897 0.831679739036956 0.834966969465135 0.831734792617962 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100911 tlogG= -0.590828 logG= -0.691739 Density= 3.497300 ETOT(band)= -1.776178 trlgG= -2.476700 logG= -0.691739 TDE= -4.591253 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101860 tlogG= -0.578839 logG= -0.680700 Density= 3.499466 ETOT(band)= -1.766185 trlgG= -2.458947 logG= -0.680700 TDE= -4.586276 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101530 tlogG= -0.584317 logG= -0.685847 Density= 3.498802 ETOT(band)= -1.770413 trlgG= -2.467411 logG= -0.685847 TDE= -4.589060 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.102218 tlogG= -0.577435 logG= -0.679654 Density= 3.500288 ETOT(band)= -1.764427 trlgG= -2.457331 logG= -0.679654 TDE= -4.586365 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101407 tlogG= -0.584827 logG= -0.686234 Density= 3.498547 ETOT(band)= -1.771005 trlgG= -2.467546 logG= -0.686234 TDE= -4.588604 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101051 tlogG= -0.586183 logG= -0.687234 Density= 3.497749 ETOT(band)= -1.772765 trlgG= -2.467097 logG= -0.687234 TDE= -4.586514 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102036 tlogG= -0.578169 logG= -0.680205 Density= 3.499851 ETOT(band)= -1.765355 trlgG= -2.458101 logG= -0.680205 TDE= -4.586234 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.100982 tlogG= -0.592118 logG= -0.693100 Density= 3.497277 ETOT(band)= -1.777009 trlgG= -2.479919 logG= -0.693100 TDE= -4.593091 logGD-logG0= -0.101193 tlogG= -0.585533 logG= -0.686726 Density= 3.497919 ETOT(band)= -1.772108 trlgG= -2.468379 logG= -0.686726 TDE= -4.588440 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102738 tlogG= -0.573823 logG= -0.676561 Density= 3.501498 ETOT(band)= -1.760895 trlgG= -2.451907 logG= -0.676561 TDE= -4.585005 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.101363 tlogG= -0.583233 logG= -0.684597 Density= 3.498389 ETOT(band)= -1.770165 trlgG= -2.464357 logG= -0.684597 TDE= -4.586925 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101635 tlogG= -0.582412 logG= -0.684047 Density= 3.499141 ETOT(band)= -1.768860 trlgG= -2.463591 logG= -0.684047 TDE= -4.587312 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101134 tlogG= -0.589804 logG= -0.690937 Density= 3.497623 ETOT(band)= -1.775148 trlgG= -2.476188 logG= -0.690937 TDE= -4.591801 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101170 tlogG= -0.591414 logG= -0.692584 Density= 3.497678 ETOT(band)= -1.776141 trlgG= -2.479313 logG= -0.692584 TDE= -4.593322 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101313 tlogG= -0.585030 logG= -0.686343 Density= 3.498222 ETOT(band)= -1.771462 trlgG= -2.468055 logG= -0.686343 TDE= -4.588743 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100843 tlogG= -0.590977 logG= -0.691821 Density= 3.497075 ETOT(band)= -1.776525 trlgG= -2.476967 logG= -0.691821 TDE= -4.591257 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101187 tlogG= -0.587528 logG= -0.688715 Density= 3.498048 ETOT(band)= -1.773274 trlgG= -2.470940 logG= -0.688715 TDE= -4.589116 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101770 tlogG= -0.580969 logG= -0.682739 Density= 3.499313 ETOT(band)= -1.767740 trlgG= -2.462059 logG= -0.682739 TDE= -4.587225 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101212 tlogG= -0.585536 logG= -0.686748 Density= 3.498036 ETOT(band)= -1.772029 trlgG= -2.467818 logG= -0.686748 TDE= -4.587951 logGD-logG0= -0.100826 tlogG= -0.592783 logG= -0.693609 Density= 3.496985 ETOT(band)= -1.777792 trlgG= -2.480633 logG= -0.693609 TDE= -4.593062 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101102 tlogG= -0.587898 logG= -0.689000 Density= 3.497948 ETOT(band)= -1.773635 trlgG= -2.470703 logG= -0.689000 TDE= -4.588513 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101621 tlogG= -0.581562 logG= -0.683183 Density= 3.499005 ETOT(band)= -1.768448 trlgG= -2.462563 logG= -0.683183 TDE= -4.587039 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101040 tlogG= -0.587842 logG= -0.688882 Density= 3.497532 ETOT(band)= -1.774016 trlgG= -2.471800 logG= -0.688882 TDE= -4.589394 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101312 tlogG= -0.585316 logG= -0.686628 Density= 3.498381 ETOT(band)= -1.771537 trlgG= -2.467384 logG= -0.686628 TDE= -4.587915 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101144 tlogG= -0.588142 logG= -0.689286 Density= 3.497802 ETOT(band)= -1.773914 trlgG= -2.472835 logG= -0.689286 TDE= -4.590242 logGD-logG0= -0.101144 tlogG= -0.587375 logG= -0.688519 Density= 3.497721 ETOT(band)= -1.773484 trlgG= -2.471738 logG= -0.688519 TDE= -4.589848 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101025 tlogG= -0.588680 logG= -0.689706 Density= 3.497587 ETOT(band)= -1.774519 trlgG= -2.472816 logG= -0.689706 TDE= -4.589631 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102126 tlogG= -0.577990 logG= -0.680116 Density= 3.500129 ETOT(band)= -1.764991 trlgG= -2.457704 logG= -0.680116 TDE= -4.586149 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101461 tlogG= -0.582767 logG= -0.684229 Density= 3.498567 ETOT(band)= -1.769644 trlgG= -2.464434 logG= -0.684229 TDE= -4.587512 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100941 tlogG= -0.588253 logG= -0.689194 Density= 3.497389 ETOT(band)= -1.774454 trlgG= -2.471349 logG= -0.689194 TDE= -4.588517 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101393 tlogG= -0.585149 logG= -0.686543 Density= 3.498591 ETOT(band)= -1.771181 trlgG= -2.467255 logG= -0.686543 TDE= -4.588039 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101445 tlogG= -0.584493 logG= -0.685938 Density= 3.498495 ETOT(band)= -1.770826 trlgG= -2.467886 logG= -0.685938 TDE= -4.589198 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101330 tlogG= -0.585441 logG= -0.686771 Density= 3.498538 ETOT(band)= -1.771449 trlgG= -2.466921 logG= -0.686771 TDE= -4.587434 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101280 tlogG= -0.587567 logG= -0.688848 Density= 3.498086 ETOT(band)= -1.773234 trlgG= -2.472534 logG= -0.688848 TDE= -4.590609 logGD-logG0= -0.102312 tlogG= -0.577265 logG= -0.679577 Density= 3.500572 ETOT(band)= -1.764077 trlgG= -2.456972 logG= -0.679577 TDE= -4.586312 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101577 tlogG= -0.582262 logG= -0.683838 Density= 3.498809 ETOT(band)= -1.769046 trlgG= -2.464297 logG= -0.683838 TDE= -4.587959 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101743 tlogG= -0.581945 logG= -0.683688 logGD-logG0= -0.101272 tlogG= -0.587108 logG= -0.688380 Density= 3.498199 ETOT(band)= -1.772826 trlgG= -2.470895 logG= -0.688380 TDE= -4.589527 Density= 3.499364 ETOT(band)= -1.768326 trlgG= -2.463476 logG= -0.683688 TDE= -4.587736 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101117 tlogG= -0.585885 logG= -0.687001 Density= 3.497798 ETOT(band)= -1.772483 trlgG= -2.468139 logG= -0.687001 TDE= -4.587828 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102499 tlogG= -0.574709 logG= -0.677209 Density= 3.500908 ETOT(band)= -1.762052 trlgG= -2.453026 logG= -0.677209 TDE= -4.585003 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101041 tlogG= -0.590285 logG= -0.691326 Density= 3.497519 ETOT(band)= -1.775571 trlgG= -2.476293 logG= -0.691326 TDE= -4.591433 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101185 tlogG= -0.589695 logG= -0.690881 Density= 3.497816 ETOT(band)= -1.774875 trlgG= -2.475842 logG= -0.690881 TDE= -4.591666 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102268 tlogG= -0.575554 logG= -0.677822 Density= 3.500370 ETOT(band)= -1.763132 trlgG= -2.454318 logG= -0.677822 TDE= -4.585250 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.100982 tlogG= -0.590414 logG= -0.691397 Density= 3.497309 ETOT(band)= -1.775882 trlgG= -2.476627 logG= -0.691397 TDE= -4.591528 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101926 tlogG= -0.580321 logG= -0.682247 Density= 3.499679 ETOT(band)= -1.766940 trlgG= -2.461626 logG= -0.682247 TDE= -4.587578 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101284 tlogG= -0.585686 logG= -0.686970 Density= 3.498542 ETOT(band)= -1.771631 trlgG= -2.466171 logG= -0.686970 TDE= -4.586488 logGD-logG0= -0.101540 tlogG= -0.582846 logG= -0.684386 Density= 3.498983 ETOT(band)= -1.769325 trlgG= -2.463546 logG= -0.684386 TDE= -4.586801 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101948 tlogG= -0.578649 logG= -0.680597 Density= 3.499739 ETOT(band)= -1.765805 trlgG= -2.458554 logG= -0.680597 TDE= -4.586205 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 Sum of eigenvalues= -1156.52158951809 eV TrLogG= -1610.57735218192 eV Ratio to renormalize= 1.000413352031 rho-rho_expected=-0.069414448578 nargs= 1 argi=dmft2.def 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 7) Finished k-point number 8 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834714273387606 0.831843292190835 0.835131344524244 0.831755972749580 0.835298513271277 0.831678024281994 0.834965129111091 0.831733083171814 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101079 tlogG= -0.586177 logG= -0.687256 Density= 3.497852 ETOT(band)= -1.772664 trlgG= -2.467023 logG= -0.687256 TDE= -4.586501 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101341 tlogG= -0.585024 logG= -0.686365 Density= 3.498326 ETOT(band)= -1.771360 trlgG= -2.467981 logG= -0.686365 TDE= -4.588730 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101357 tlogG= -0.585436 logG= -0.686793 Density= 3.498642 ETOT(band)= -1.771347 trlgG= -2.466847 logG= -0.686793 TDE= -4.587421 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101221 tlogG= -0.585528 logG= -0.686748 Density= 3.498023 ETOT(band)= -1.772006 trlgG= -2.468305 logG= -0.686748 TDE= -4.588428 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101649 tlogG= -0.581556 logG= -0.683205 Density= 3.499109 ETOT(band)= -1.768345 trlgG= -2.462488 logG= -0.683205 TDE= -4.587026 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101798 tlogG= -0.580964 logG= -0.682761 Density= 3.499418 ETOT(band)= -1.767637 trlgG= -2.461984 logG= -0.682761 TDE= -4.587213 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101010 tlogG= -0.592112 logG= -0.693121 Density= 3.497381 ETOT(band)= -1.776908 trlgG= -2.479845 logG= -0.693121 TDE= -4.593080 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101161 tlogG= -0.589798 logG= -0.690959 Density= 3.497727 ETOT(band)= -1.775046 trlgG= -2.476115 logG= -0.690959 TDE= -4.591789 logGD-logG0= -0.101129 tlogG= -0.587893 logG= -0.689022 Density= 3.498050 ETOT(band)= -1.773534 trlgG= -2.470630 logG= -0.689022 TDE= -4.588501 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101198 tlogG= -0.591409 logG= -0.692606 Density= 3.497782 ETOT(band)= -1.776039 trlgG= -2.479240 logG= -0.692606 TDE= -4.593311 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.102339 tlogG= -0.577260 logG= -0.679599 Density= 3.500678 ETOT(band)= -1.763973 trlgG= -2.456897 logG= -0.679599 TDE= -4.586299 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101434 tlogG= -0.584822 logG= -0.686256 Density= 3.498651 ETOT(band)= -1.770903 trlgG= -2.467473 logG= -0.686256 TDE= -4.588591 logGD-logG0= -0.101391 tlogG= -0.583228 logG= -0.684619 Density= 3.498492 ETOT(band)= -1.770064 trlgG= -2.464283 logG= -0.684619 TDE= -4.586912 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100939 tlogG= -0.590822 logG= -0.691761 Density= 3.497403 ETOT(band)= -1.776077 trlgG= -2.476628 logG= -0.691761 TDE= -4.591240 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102246 tlogG= -0.577430 logG= -0.679676 Density= 3.500394 ETOT(band)= -1.764323 trlgG= -2.457256 logG= -0.679676 TDE= -4.586353 logGD-logG0= -0.101240 tlogG= -0.585530 logG= -0.686770 Density= 3.498139 ETOT(band)= -1.771928 trlgG= -2.467744 logG= -0.686770 TDE= -4.587938 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101053 tlogG= -0.588675 logG= -0.689728 Density= 3.497690 ETOT(band)= -1.774417 trlgG= -2.472743 logG= -0.689728 TDE= -4.589618 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101171 tlogG= -0.587369 logG= -0.688541 Density= 3.497825 ETOT(band)= -1.773382 trlgG= -2.471664 logG= -0.688541 TDE= -4.589835 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101069 tlogG= -0.590279 logG= -0.691348 Density= 3.497622 ETOT(band)= -1.775470 trlgG= -2.476220 logG= -0.691348 TDE= -4.591421 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101067 tlogG= -0.587837 logG= -0.688904 Density= 3.497635 ETOT(band)= -1.773915 trlgG= -2.471726 logG= -0.688904 TDE= -4.589382 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101312 tlogG= -0.585680 logG= -0.686992 Density= 3.498645 ETOT(band)= -1.771530 trlgG= -2.466098 logG= -0.686992 TDE= -4.586475 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101340 tlogG= -0.585310 logG= -0.686649 Density= 3.498485 ETOT(band)= -1.771435 trlgG= -2.467311 logG= -0.686649 TDE= -4.587902 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101558 tlogG= -0.584311 logG= -0.685869 Density= 3.498906 ETOT(band)= -1.770311 trlgG= -2.467337 logG= -0.685869 TDE= -4.589048 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100854 tlogG= -0.592777 logG= -0.693631 Density= 3.497089 ETOT(band)= -1.777691 trlgG= -2.480560 logG= -0.693631 TDE= -4.593050 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101299 tlogG= -0.587102 logG= -0.688401 Density= 3.498302 ETOT(band)= -1.772724 trlgG= -2.470821 logG= -0.688401 TDE= -4.589515 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102295 tlogG= -0.575548 logG= -0.677844 Density= 3.500475 ETOT(band)= -1.763029 trlgG= -2.454243 logG= -0.677844 TDE= -4.585238 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101770 tlogG= -0.581939 logG= -0.683709 Density= 3.499468 ETOT(band)= -1.768223 trlgG= -2.463402 logG= -0.683709 TDE= -4.587723 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101215 tlogG= -0.587522 logG= -0.688737 Density= 3.498151 ETOT(band)= -1.773173 trlgG= -2.470867 logG= -0.688737 TDE= -4.589104 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101144 tlogG= -0.585879 logG= -0.687023 Density= 3.497902 ETOT(band)= -1.772381 trlgG= -2.468066 logG= -0.687023 TDE= -4.587816 logGD-logG0= -0.102063 tlogG= -0.578163 logG= -0.680227 Density= 3.499956 ETOT(band)= -1.765252 trlgG= -2.458027 logG= -0.680227 TDE= -4.586221 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101489 tlogG= -0.582762 logG= -0.684251 Density= 3.498671 ETOT(band)= -1.769542 trlgG= -2.464360 logG= -0.684251 TDE= -4.587500 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101604 tlogG= -0.582256 logG= -0.683860 Density= 3.498913 ETOT(band)= -1.768943 trlgG= -2.464222 logG= -0.683860 TDE= -4.587947 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100969 tlogG= -0.588248 logG= -0.689216 Density= 3.497492 ETOT(band)= -1.774353 trlgG= -2.471276 logG= -0.689216 TDE= -4.588505 logGD-logG0= -0.101888 tlogG= -0.578834 logG= -0.680721 Density= 3.499570 ETOT(band)= -1.766082 trlgG= -2.458872 logG= -0.680721 TDE= -4.586263 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101472 tlogG= -0.584488 logG= -0.685960 Density= 3.498600 ETOT(band)= -1.770724 trlgG= -2.467812 logG= -0.685960 TDE= -4.589185 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101171 tlogG= -0.588136 logG= -0.689308 Density= 3.497905 ETOT(band)= -1.773812 trlgG= -2.472761 logG= -0.689308 TDE= -4.590230 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101421 tlogG= -0.585144 logG= -0.686564 Density= 3.498694 ETOT(band)= -1.771079 trlgG= -2.467181 logG= -0.686564 TDE= -4.588026 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101213 tlogG= -0.589690 logG= -0.690902 Density= 3.497920 ETOT(band)= -1.774773 trlgG= -2.475768 logG= -0.690902 TDE= -4.591654 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101954 tlogG= -0.580315 logG= -0.682269 Density= 3.499784 ETOT(band)= -1.766836 trlgG= -2.461551 logG= -0.682269 TDE= -4.587566 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.100871 tlogG= -0.590972 logG= -0.691843 Density= 3.497178 ETOT(band)= -1.776423 trlgG= -2.476894 logG= -0.691843 TDE= -4.591245 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101010 tlogG= -0.590409 logG= -0.691419 Density= 3.497412 ETOT(band)= -1.775781 trlgG= -2.476554 logG= -0.691419 TDE= -4.591516 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101662 tlogG= -0.582406 logG= -0.684069 Density= 3.499245 ETOT(band)= -1.768758 trlgG= -2.463517 logG= -0.684069 TDE= -4.587300 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102766 tlogG= -0.573818 logG= -0.676584 Density= 3.501606 ETOT(band)= -1.760790 trlgG= -2.451830 logG= -0.676584 TDE= -4.584993 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102154 tlogG= -0.577984 logG= -0.680138 Density= 3.500234 ETOT(band)= -1.764888 trlgG= -2.457630 logG= -0.680138 TDE= -4.586137 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101975 tlogG= -0.578644 logG= -0.680619 Density= 3.499843 ETOT(band)= -1.765702 trlgG= -2.458479 logG= -0.680619 TDE= -4.586192 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101567 tlogG= -0.582841 logG= -0.684408 Density= 3.499086 ETOT(band)= -1.769224 trlgG= -2.463472 logG= -0.684408 TDE= -4.586789 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101308 tlogG= -0.587561 logG= -0.688869 Density= 3.498190 ETOT(band)= -1.773132 trlgG= -2.472461 logG= -0.688869 TDE= -4.590596 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102527 tlogG= -0.574704 logG= -0.677231 Density= 3.501014 ETOT(band)= -1.761947 trlgG= -2.452951 logG= -0.677231 TDE= -4.584991 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1156.45494664353 eV TrLogG= -1610.58356649312 eV Ratio to renormalize= 1.000383625535 rho-rho_expected=-0.064424375040 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 9) Finished k-point number 10 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= 104 40) Finished k-point number 41 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834726401459522 0.831855446184297 0.835143456216288 0.831768149536311 0.835310543711381 0.831690236718132 0.834977220928272 0.831745271680321 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101168 tlogG= -0.589793 logG= -0.690962 Density= 3.497744 ETOT(band)= -1.775058 trlgG= -2.476129 logG= -0.690962 TDE= -4.591814 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101247 tlogG= -0.585526 logG= -0.686773 Density= 3.498156 ETOT(band)= -1.771940 trlgG= -2.467763 logG= -0.686773 TDE= -4.587967 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101441 tlogG= -0.584818 logG= -0.686258 Density= 3.498667 ETOT(band)= -1.770916 trlgG= -2.467490 logG= -0.686258 TDE= -4.588620 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101205 tlogG= -0.591404 logG= -0.692609 Density= 3.497799 ETOT(band)= -1.776052 trlgG= -2.479252 logG= -0.692609 TDE= -4.593335 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101178 tlogG= -0.587365 logG= -0.688543 Density= 3.497842 ETOT(band)= -1.773395 trlgG= -2.471681 logG= -0.688543 TDE= -4.589863 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101895 tlogG= -0.578829 logG= -0.680724 Density= 3.499587 ETOT(band)= -1.766095 trlgG= -2.458891 logG= -0.680724 TDE= -4.586293 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101227 tlogG= -0.585523 logG= -0.686751 Density= 3.498040 ETOT(band)= -1.772019 trlgG= -2.468322 logG= -0.686751 TDE= -4.588456 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102071 tlogG= -0.578159 logG= -0.680229 Density= 3.499973 ETOT(band)= -1.765265 trlgG= -2.458043 logG= -0.680229 TDE= -4.586249 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101496 tlogG= -0.582757 logG= -0.684253 Density= 3.498688 ETOT(band)= -1.769555 trlgG= -2.464377 logG= -0.684253 TDE= -4.587528 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100861 tlogG= -0.592773 logG= -0.693634 Density= 3.497105 ETOT(band)= -1.777703 trlgG= -2.480575 logG= -0.693634 TDE= -4.593076 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101398 tlogG= -0.583224 logG= -0.684621 Density= 3.498509 ETOT(band)= -1.770077 trlgG= -2.464302 logG= -0.684621 TDE= -4.586942 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101076 tlogG= -0.590275 logG= -0.691351 Density= 3.497639 ETOT(band)= -1.775483 trlgG= -2.476235 logG= -0.691351 TDE= -4.591447 logGD-logG0= -0.101479 tlogG= -0.584483 logG= -0.685963 Density= 3.498617 ETOT(band)= -1.770736 trlgG= -2.467829 logG= -0.685963 TDE= -4.589214 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101346 tlogG= -0.585306 logG= -0.686652 Density= 3.498501 ETOT(band)= -1.771448 trlgG= -2.467329 logG= -0.686652 TDE= -4.587931 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100946 tlogG= -0.590818 logG= -0.691763 Density= 3.497420 ETOT(band)= -1.776090 trlgG= -2.476643 logG= -0.691763 TDE= -4.591267 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101060 tlogG= -0.588671 logG= -0.689730 Density= 3.497707 ETOT(band)= -1.774430 trlgG= -2.472760 logG= -0.689730 TDE= -4.589646 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101151 tlogG= -0.585875 logG= -0.687026 Density= 3.497918 ETOT(band)= -1.772394 trlgG= -2.468083 logG= -0.687026 TDE= -4.587844 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101315 tlogG= -0.587557 logG= -0.688872 Density= 3.498207 ETOT(band)= -1.773144 trlgG= -2.472477 logG= -0.688872 TDE= -4.590624 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101982 tlogG= -0.578639 logG= -0.680621 Density= 3.499860 ETOT(band)= -1.765715 trlgG= -2.458498 logG= -0.680621 TDE= -4.586222 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101656 tlogG= -0.581552 logG= -0.683207 Density= 3.499126 ETOT(band)= -1.768358 trlgG= -2.462507 logG= -0.683207 TDE= -4.587056 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101221 tlogG= -0.587518 logG= -0.688739 Density= 3.498168 ETOT(band)= -1.773186 trlgG= -2.470884 logG= -0.688739 TDE= -4.589132 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100878 tlogG= -0.590967 logG= -0.691845 Density= 3.497195 ETOT(band)= -1.776437 trlgG= -2.476910 logG= -0.691845 TDE= -4.591271 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101805 tlogG= -0.580959 logG= -0.682764 Density= 3.499435 ETOT(band)= -1.767650 trlgG= -2.462001 logG= -0.682764 TDE= -4.587241 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101086 tlogG= -0.586173 logG= -0.687259 Density= 3.497869 ETOT(band)= -1.772677 trlgG= -2.467041 logG= -0.687259 TDE= -4.586530 logGD-logG0= -0.102253 tlogG= -0.577425 logG= -0.679678 Density= 3.500411 ETOT(band)= -1.764336 trlgG= -2.457272 logG= -0.679678 TDE= -4.586380 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101777 tlogG= -0.581935 logG= -0.683712 Density= 3.499485 ETOT(band)= -1.768236 trlgG= -2.463419 logG= -0.683712 TDE= -4.587751 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101565 tlogG= -0.584306 logG= -0.685871 logGD-logG0= -0.101220 tlogG= -0.589685 logG= -0.690905 Density= 3.498923 ETOT(band)= -1.770324 trlgG= -2.467354 logG= -0.685871 TDE= -4.589076 Density= 3.497937 ETOT(band)= -1.774786 trlgG= -2.475782 logG= -0.690905 TDE= -4.591679 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101017 tlogG= -0.592107 logG= -0.693124 Density= 3.497398 ETOT(band)= -1.776920 trlgG= -2.479859 logG= -0.693124 TDE= -4.593105 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101178 tlogG= -0.588132 logG= -0.689310 Density= 3.497922 ETOT(band)= -1.773825 trlgG= -2.472779 logG= -0.689310 TDE= -4.590258 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102773 tlogG= -0.573813 logG= -0.676586 Density= 3.501623 ETOT(band)= -1.760803 trlgG= -2.451846 logG= -0.676586 TDE= -4.585020 logGD-logG0= -0.101136 tlogG= -0.587888 logG= -0.689024 Density= 3.498067 ETOT(band)= -1.773547 trlgG= -2.470646 logG= -0.689024 TDE= -4.588528 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101669 tlogG= -0.582402 logG= -0.684071 Density= 3.499262 ETOT(band)= -1.768771 trlgG= -2.463534 logG= -0.684071 TDE= -4.587328 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101428 tlogG= -0.585139 logG= -0.686567 Density= 3.498711 ETOT(band)= -1.771092 trlgG= -2.467199 logG= -0.686567 TDE= -4.588055 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101364 tlogG= -0.585432 logG= -0.686796 Density= 3.498658 ETOT(band)= -1.771361 trlgG= -2.466866 logG= -0.686796 TDE= -4.587451 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101961 tlogG= -0.580311 logG= -0.682272 Density= 3.499801 ETOT(band)= -1.766849 trlgG= -2.461568 logG= -0.682272 TDE= -4.587594 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.100975 tlogG= -0.588243 logG= -0.689219 Density= 3.497509 ETOT(band)= -1.774366 trlgG= -2.471293 logG= -0.689219 TDE= -4.588533 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101319 tlogG= -0.585676 logG= -0.686995 Density= 3.498662 ETOT(band)= -1.771542 trlgG= -2.466116 logG= -0.686995 TDE= -4.586505 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.101306 tlogG= -0.587098 logG= -0.688404 Density= 3.498319 ETOT(band)= -1.772737 trlgG= -2.470838 logG= -0.688404 TDE= -4.589542 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102346 tlogG= -0.577255 logG= -0.679601 Density= 3.500695 ETOT(band)= -1.763986 trlgG= -2.456913 logG= -0.679601 TDE= -4.586327 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102161 tlogG= -0.577980 logG= -0.680141 Density= 3.500251 ETOT(band)= -1.764901 trlgG= -2.457646 logG= -0.680141 TDE= -4.586164 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101611 tlogG= -0.582252 logG= -0.683863 Density= 3.498930 ETOT(band)= -1.768956 trlgG= -2.464239 logG= -0.683863 TDE= -4.587975 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101348 tlogG= -0.585020 logG= -0.686367 Density= 3.498343 ETOT(band)= -1.771373 trlgG= -2.467998 logG= -0.686367 TDE= -4.588758 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101074 tlogG= -0.587832 logG= -0.688907 Density= 3.497652 ETOT(band)= -1.773927 trlgG= -2.471743 logG= -0.688907 TDE= -4.589410 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101017 tlogG= -0.590404 logG= -0.691421 Density= 3.497429 ETOT(band)= -1.775793 trlgG= -2.476569 logG= -0.691421 TDE= -4.591542 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102534 tlogG= -0.574699 logG= -0.677233 Density= 3.501031 ETOT(band)= -1.761960 trlgG= -2.452967 logG= -0.677233 TDE= -4.585019 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102302 tlogG= -0.575544 logG= -0.677846 Density= 3.500492 ETOT(band)= -1.763042 trlgG= -2.454261 logG= -0.677846 TDE= -4.585267 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101574 tlogG= -0.582836 logG= -0.684410 Density= 3.499103 ETOT(band)= -1.769237 trlgG= -2.463491 logG= -0.684410 TDE= -4.586818 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 Sum of eigenvalues= -1156.46333891449 eV TrLogG= -1610.60338680710 eV Ratio to renormalize= 1.000378788291 rho-rho_expected=-0.063612337340 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 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= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834700629408963 0.831829506898642 0.835117764541078 0.831742140977507 0.835284971757406 0.831664178066736 0.834951512722051 0.831719263990907 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101071 tlogG= -0.586186 logG= -0.687257 Density= 3.497835 ETOT(band)= -1.772655 trlgG= -2.467013 logG= -0.687257 TDE= -4.586476 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101154 tlogG= -0.589807 logG= -0.690961 Density= 3.497709 ETOT(band)= -1.775037 trlgG= -2.476109 logG= -0.690961 TDE= -4.591767 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100931 tlogG= -0.590831 logG= -0.691762 Density= 3.497385 ETOT(band)= -1.776069 trlgG= -2.476620 logG= -0.691762 TDE= -4.591217 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101002 tlogG= -0.590418 logG= -0.691420 Density= 3.497394 ETOT(band)= -1.775772 trlgG= -2.476547 logG= -0.691420 TDE= -4.591494 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101060 tlogG= -0.587845 logG= -0.688905 Density= 3.497617 ETOT(band)= -1.773906 trlgG= -2.471717 logG= -0.688905 TDE= -4.589357 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101332 tlogG= -0.585318 logG= -0.686651 Density= 3.498467 ETOT(band)= -1.771426 trlgG= -2.467300 logG= -0.686651 TDE= -4.587876 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101045 tlogG= -0.588683 logG= -0.689729 Density= 3.497672 ETOT(band)= -1.774408 trlgG= -2.472733 logG= -0.689729 TDE= -4.589593 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101641 tlogG= -0.581565 logG= -0.683206 Density= 3.499091 ETOT(band)= -1.768337 trlgG= -2.462477 logG= -0.683206 TDE= -4.586999 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101426 tlogG= -0.584831 logG= -0.686257 Density= 3.498633 ETOT(band)= -1.770894 trlgG= -2.467463 logG= -0.686257 TDE= -4.588566 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101207 tlogG= -0.587531 logG= -0.688738 Density= 3.498133 ETOT(band)= -1.773164 trlgG= -2.470858 logG= -0.688738 TDE= -4.589079 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101413 tlogG= -0.585152 logG= -0.686566 Density= 3.498676 ETOT(band)= -1.771070 trlgG= -2.467170 logG= -0.686566 TDE= -4.588000 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101164 tlogG= -0.588145 logG= -0.689309 Density= 3.497887 ETOT(band)= -1.773803 trlgG= -2.472752 logG= -0.689309 TDE= -4.590205 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101232 tlogG= -0.585539 logG= -0.686771 Density= 3.498121 ETOT(band)= -1.771919 trlgG= -2.467734 logG= -0.686771 TDE= -4.587912 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101301 tlogG= -0.587570 logG= -0.688871 Density= 3.498172 ETOT(band)= -1.773123 trlgG= -2.472452 logG= -0.688871 TDE= -4.590571 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101550 tlogG= -0.584320 logG= -0.685870 Density= 3.498888 ETOT(band)= -1.770302 trlgG= -2.467328 logG= -0.685870 TDE= -4.589023 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100846 tlogG= -0.592786 logG= -0.693633 Density= 3.497070 ETOT(band)= -1.777682 trlgG= -2.480553 logG= -0.693633 TDE= -4.593027 logGD-logG0= -0.102056 tlogG= -0.578172 logG= -0.680228 Density= 3.499938 ETOT(band)= -1.765243 trlgG= -2.458018 logG= -0.680228 TDE= -4.586197 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101205 tlogG= -0.589699 logG= -0.690904 Density= 3.497902 ETOT(band)= -1.774765 trlgG= -2.475763 logG= -0.690904 TDE= -4.591632 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102238 tlogG= -0.577439 logG= -0.679677 Density= 3.500375 ETOT(band)= -1.764315 trlgG= -2.457248 logG= -0.679677 TDE= -4.586329 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101880 tlogG= -0.578842 logG= -0.680723 Density= 3.499552 ETOT(band)= -1.766073 trlgG= -2.458861 logG= -0.680723 TDE= -4.586236 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101164 tlogG= -0.587378 logG= -0.688542 Density= 3.497807 ETOT(band)= -1.773373 trlgG= -2.471655 logG= -0.688542 TDE= -4.589810 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101655 tlogG= -0.582415 logG= -0.684070 Density= 3.499227 ETOT(band)= -1.768749 trlgG= -2.463508 logG= -0.684070 TDE= -4.587275 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101213 tlogG= -0.585536 logG= -0.686749 Density= 3.498005 ETOT(band)= -1.771997 trlgG= -2.468295 logG= -0.686749 TDE= -4.588402 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101384 tlogG= -0.583236 logG= -0.684620 Density= 3.498475 ETOT(band)= -1.770055 trlgG= -2.464272 logG= -0.684620 TDE= -4.586885 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101190 tlogG= -0.591418 logG= -0.692608 Density= 3.497764 ETOT(band)= -1.776031 trlgG= -2.479235 logG= -0.692608 TDE= -4.593290 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101002 tlogG= -0.592121 logG= -0.693123 Density= 3.497363 ETOT(band)= -1.776899 trlgG= -2.479839 logG= -0.693123 TDE= -4.593058 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101790 tlogG= -0.580972 logG= -0.682763 Density= 3.499399 ETOT(band)= -1.767628 trlgG= -2.461975 logG= -0.682763 TDE= -4.587188 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100961 tlogG= -0.588256 logG= -0.689217 Density= 3.497474 ETOT(band)= -1.774344 trlgG= -2.471267 logG= -0.689217 TDE= -4.588480 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101137 tlogG= -0.585888 logG= -0.687025 Density= 3.497884 ETOT(band)= -1.772372 trlgG= -2.468056 logG= -0.687025 TDE= -4.587790 logGD-logG0= -0.100863 tlogG= -0.590980 logG= -0.691844 Density= 3.497160 ETOT(band)= -1.776415 trlgG= -2.476887 logG= -0.691844 TDE= -4.591221 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101481 tlogG= -0.582770 logG= -0.684252 Density= 3.498653 ETOT(band)= -1.769533 trlgG= -2.464350 logG= -0.684252 TDE= -4.587475 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101597 tlogG= -0.582265 logG= -0.683862 Density= 3.498895 ETOT(band)= -1.768934 trlgG= -2.464213 logG= -0.683862 TDE= -4.587922 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102520 tlogG= -0.574713 logG= -0.677232 Density= 3.500996 ETOT(band)= -1.761939 trlgG= -2.452942 logG= -0.677232 TDE= -4.584966 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101061 tlogG= -0.590288 logG= -0.691350 Density= 3.497604 ETOT(band)= -1.775461 trlgG= -2.476213 logG= -0.691350 TDE= -4.591398 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101333 tlogG= -0.585033 logG= -0.686366 Density= 3.498308 ETOT(band)= -1.771351 trlgG= -2.467971 logG= -0.686366 TDE= -4.588705 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101763 tlogG= -0.581948 logG= -0.683711 Density= 3.499450 ETOT(band)= -1.768214 trlgG= -2.463393 logG= -0.683711 TDE= -4.587698 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101465 tlogG= -0.584497 logG= -0.685961 Density= 3.498581 ETOT(band)= -1.770715 trlgG= -2.467803 logG= -0.685961 TDE= -4.589160 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101122 tlogG= -0.587901 logG= -0.689023 Density= 3.498032 ETOT(band)= -1.773525 trlgG= -2.470621 logG= -0.689023 TDE= -4.588477 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102332 tlogG= -0.577269 logG= -0.679600 Density= 3.500660 ETOT(band)= -1.763965 trlgG= -2.456889 logG= -0.679600 TDE= -4.586275 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101292 tlogG= -0.587111 logG= -0.688403 Density= 3.498284 ETOT(band)= -1.772715 trlgG= -2.470812 logG= -0.688403 TDE= -4.589490 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101946 tlogG= -0.580324 logG= -0.682271 Density= 3.499766 ETOT(band)= -1.766828 trlgG= -2.461542 logG= -0.682271 TDE= -4.587541 logGD-logG0= -0.101968 tlogG= -0.578652 logG= -0.680620 Density= 3.499825 ETOT(band)= -1.765693 trlgG= -2.458468 logG= -0.680620 TDE= -4.586165 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102288 tlogG= -0.575557 logG= -0.677845 Density= 3.500457 ETOT(band)= -1.763020 trlgG= -2.454232 logG= -0.677845 TDE= -4.585211 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101350 tlogG= -0.585444 logG= -0.686794 Density= 3.498624 ETOT(band)= -1.771338 trlgG= -2.466836 logG= -0.686794 TDE= -4.587395 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102146 tlogG= -0.577993 logG= -0.680139 Density= 3.500216 ETOT(band)= -1.764879 trlgG= -2.457621 logG= -0.680139 TDE= -4.586113 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102758 tlogG= -0.573827 logG= -0.676585 Density= 3.501588 ETOT(band)= -1.760781 trlgG= -2.451823 logG= -0.676585 TDE= -4.584969 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101304 tlogG= -0.585689 logG= -0.686993 Density= 3.498627 ETOT(band)= -1.771520 trlgG= -2.466087 logG= -0.686993 TDE= -4.586449 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101560 tlogG= -0.582849 logG= -0.684409 Density= 3.499069 ETOT(band)= -1.769214 trlgG= -2.463461 logG= -0.684409 TDE= -4.586762 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 Sum of eigenvalues= -1156.44915905718 eV TrLogG= -1610.56823377307 eV Ratio to renormalize= 1.000388781715 rho-rho_expected=-0.065289944573 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 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= 105 3) Finished k-point number 4 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834702113298272 0.831830955498625 0.835119240629799 0.831743596511072 0.835286442344458 0.831665633693099 0.834952996136283 0.831720713710008 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101427 tlogG= -0.584832 logG= -0.686260 Density= 3.498635 ETOT(band)= -1.770899 trlgG= -2.467470 logG= -0.686260 TDE= -4.588573 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101046 tlogG= -0.588685 logG= -0.689732 Density= 3.497674 ETOT(band)= -1.774413 trlgG= -2.472741 logG= -0.689732 TDE= -4.589600 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101165 tlogG= -0.587380 logG= -0.688545 Density= 3.497809 ETOT(band)= -1.773378 trlgG= -2.471662 logG= -0.688545 TDE= -4.589817 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101208 tlogG= -0.587532 logG= -0.688741 Density= 3.498136 ETOT(band)= -1.773168 trlgG= -2.470865 logG= -0.688741 TDE= -4.589086 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101123 tlogG= -0.587903 logG= -0.689026 Density= 3.498035 ETOT(band)= -1.773529 trlgG= -2.470629 logG= -0.689026 TDE= -4.588483 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102057 tlogG= -0.578174 logG= -0.680231 Density= 3.499940 ETOT(band)= -1.765248 trlgG= -2.458026 logG= -0.680231 TDE= -4.586204 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101642 tlogG= -0.581567 logG= -0.683209 Density= 3.499094 ETOT(band)= -1.768341 trlgG= -2.462485 logG= -0.683209 TDE= -4.587006 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101191 tlogG= -0.591420 logG= -0.692611 Density= 3.497766 ETOT(band)= -1.776035 trlgG= -2.479242 logG= -0.692611 TDE= -4.593296 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100932 tlogG= -0.590832 logG= -0.691765 Density= 3.497388 ETOT(band)= -1.776073 trlgG= -2.476627 logG= -0.691765 TDE= -4.591223 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101333 tlogG= -0.585320 logG= -0.686653 Density= 3.498469 ETOT(band)= -1.771431 trlgG= -2.467308 logG= -0.686653 TDE= -4.587883 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101206 tlogG= -0.589701 logG= -0.690907 Density= 3.497904 ETOT(band)= -1.774769 trlgG= -2.475770 logG= -0.690907 TDE= -4.591638 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101947 tlogG= -0.580326 logG= -0.682273 Density= 3.499768 ETOT(band)= -1.766832 trlgG= -2.461549 logG= -0.682273 TDE= -4.587547 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102759 tlogG= -0.573829 logG= -0.676588 Density= 3.501590 ETOT(band)= -1.760786 trlgG= -2.451830 logG= -0.676588 TDE= -4.584975 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101293 tlogG= -0.587112 logG= -0.688406 Density= 3.498287 ETOT(band)= -1.772719 trlgG= -2.470820 logG= -0.688406 TDE= -4.589497 logGD-logG0= -0.101233 tlogG= -0.585541 logG= -0.686774 Density= 3.498124 ETOT(band)= -1.771923 trlgG= -2.467742 logG= -0.686774 TDE= -4.587919 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101155 tlogG= -0.589809 logG= -0.690964 Density= 3.497711 ETOT(band)= -1.775042 trlgG= -2.476116 logG= -0.690964 TDE= -4.591773 logGD-logG0= -0.101881 tlogG= -0.578844 logG= -0.680726 Density= 3.499555 ETOT(band)= -1.766078 trlgG= -2.458868 logG= -0.680726 TDE= -4.586243 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101214 tlogG= -0.585538 logG= -0.686752 Density= 3.498007 ETOT(band)= -1.772002 trlgG= -2.468303 logG= -0.686752 TDE= -4.588409 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101791 tlogG= -0.580974 logG= -0.682766 Density= 3.499402 ETOT(band)= -1.767633 trlgG= -2.461982 logG= -0.682766 TDE= -4.587194 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100847 tlogG= -0.592788 logG= -0.693636 Density= 3.497073 ETOT(band)= -1.777686 trlgG= -2.480560 logG= -0.693636 TDE= -4.593033 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101073 tlogG= -0.586187 logG= -0.687260 Density= 3.497837 ETOT(band)= -1.772659 trlgG= -2.467021 logG= -0.687260 TDE= -4.586483 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101385 tlogG= -0.583238 logG= -0.684623 Density= 3.498477 ETOT(band)= -1.770059 trlgG= -2.464280 logG= -0.684623 TDE= -4.586892 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101552 tlogG= -0.584322 logG= -0.685873 Density= 3.498891 ETOT(band)= -1.770306 trlgG= -2.467336 logG= -0.685873 TDE= -4.589029 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102333 tlogG= -0.577270 logG= -0.679603 Density= 3.500663 ETOT(band)= -1.763969 trlgG= -2.456896 logG= -0.679603 TDE= -4.586282 logGD-logG0= -0.101598 tlogG= -0.582267 logG= -0.683865 Density= 3.498897 ETOT(band)= -1.768939 trlgG= -2.464221 logG= -0.683865 TDE= -4.587928 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101656 tlogG= -0.582417 logG= -0.684073 Density= 3.499229 ETOT(band)= -1.768753 trlgG= -2.463515 logG= -0.684073 TDE= -4.587281 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101061 tlogG= -0.587847 logG= -0.688908 Density= 3.497619 ETOT(band)= -1.773910 trlgG= -2.471724 logG= -0.688908 TDE= -4.589363 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101334 tlogG= -0.585035 logG= -0.686369 Density= 3.498310 ETOT(band)= -1.771355 trlgG= -2.467979 logG= -0.686369 TDE= -4.588712 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101165 tlogG= -0.588147 logG= -0.689312 Density= 3.497890 ETOT(band)= -1.773808 trlgG= -2.472760 logG= -0.689312 TDE= -4.590211 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101351 tlogG= -0.585446 logG= -0.686797 Density= 3.498626 ETOT(band)= -1.771343 trlgG= -2.466844 logG= -0.686797 TDE= -4.587402 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101003 tlogG= -0.592123 logG= -0.693126 Density= 3.497365 ETOT(band)= -1.776903 trlgG= -2.479846 logG= -0.693126 TDE= -4.593064 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100864 tlogG= -0.590982 logG= -0.691847 Density= 3.497162 ETOT(band)= -1.776419 trlgG= -2.476894 logG= -0.691847 TDE= -4.591228 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101969 tlogG= -0.578654 logG= -0.680623 Density= 3.499827 ETOT(band)= -1.765698 trlgG= -2.458476 logG= -0.680623 TDE= -4.586172 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101764 tlogG= -0.581950 logG= -0.683714 Density= 3.499453 ETOT(band)= -1.768218 trlgG= -2.463400 logG= -0.683714 TDE= -4.587705 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102521 tlogG= -0.574714 logG= -0.677235 Density= 3.500998 ETOT(band)= -1.761943 trlgG= -2.452950 logG= -0.677235 TDE= -4.584973 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101561 tlogG= -0.582851 logG= -0.684412 Density= 3.499071 ETOT(band)= -1.769219 trlgG= -2.463469 logG= -0.684412 TDE= -4.586769 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101482 tlogG= -0.582772 logG= -0.684255 Density= 3.498655 ETOT(band)= -1.769538 trlgG= -2.464358 logG= -0.684255 TDE= -4.587481 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101414 tlogG= -0.585154 logG= -0.686568 Density= 3.498679 ETOT(band)= -1.771074 trlgG= -2.467178 logG= -0.686568 TDE= -4.588007 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102289 tlogG= -0.575559 logG= -0.677848 Density= 3.500460 ETOT(band)= -1.763025 trlgG= -2.454239 logG= -0.677848 TDE= -4.585218 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102240 tlogG= -0.577441 logG= -0.679680 Density= 3.500378 ETOT(band)= -1.764319 trlgG= -2.457255 logG= -0.679680 TDE= -4.586335 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100962 tlogG= -0.588258 logG= -0.689220 Density= 3.497477 ETOT(band)= -1.774349 trlgG= -2.471274 logG= -0.689220 TDE= -4.588487 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101466 tlogG= -0.584499 logG= -0.685964 Density= 3.498584 ETOT(band)= -1.770719 trlgG= -2.467810 logG= -0.685964 TDE= -4.589167 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101138 tlogG= -0.585889 logG= -0.687027 Density= 3.497886 ETOT(band)= -1.772376 trlgG= -2.468063 logG= -0.687027 TDE= -4.587797 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101004 tlogG= -0.590419 logG= -0.691423 Density= 3.497397 ETOT(band)= -1.775776 trlgG= -2.476555 logG= -0.691423 TDE= -4.591500 logGD-logG0= -0.101305 tlogG= -0.585690 logG= -0.686996 Density= 3.498630 ETOT(band)= -1.771524 trlgG= -2.466094 logG= -0.686996 TDE= -4.586456 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101062 tlogG= -0.590290 logG= -0.691352 Density= 3.497607 ETOT(band)= -1.775466 trlgG= -2.476220 logG= -0.691352 TDE= -4.591404 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101302 tlogG= -0.587572 logG= -0.688874 Density= 3.498175 ETOT(band)= -1.773128 trlgG= -2.472459 logG= -0.688874 TDE= -4.590578 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102147 tlogG= -0.577995 logG= -0.680142 Density= 3.500219 ETOT(band)= -1.764883 trlgG= -2.457629 logG= -0.680142 TDE= -4.586119 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1156.45202319586 eV TrLogG= -1610.57439034070 eV Ratio to renormalize= 1.000388068198 rho-rho_expected=-0.065170166727 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 45) Finished k-point number 46 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= 0.834695402104109 0.831824178400479 0.835112560818723 0.831736796046269 0.835279801428079 0.831658816708281 0.834946289747138 0.831713923162205 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101206 tlogG= -0.589815 logG= -0.691021 Density= 3.497611 ETOT(band)= -1.775116 trlgG= -2.476242 logG= -0.691021 TDE= -4.591761 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100899 tlogG= -0.592794 logG= -0.693693 Density= 3.496973 ETOT(band)= -1.777760 trlgG= -2.480684 logG= -0.693693 TDE= -4.593020 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101479 tlogG= -0.584838 logG= -0.686317 Density= 3.498536 ETOT(band)= -1.770972 trlgG= -2.467593 logG= -0.686317 TDE= -4.588559 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101436 tlogG= -0.583244 logG= -0.684680 Density= 3.498379 ETOT(band)= -1.770131 trlgG= -2.464401 logG= -0.684680 TDE= -4.586877 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101259 tlogG= -0.587538 logG= -0.688798 Density= 3.498037 ETOT(band)= -1.773241 trlgG= -2.470988 logG= -0.688798 TDE= -4.589072 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101242 tlogG= -0.591426 logG= -0.692668 Density= 3.497665 ETOT(band)= -1.776110 trlgG= -2.479369 logG= -0.692668 TDE= -4.593284 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101694 tlogG= -0.581572 logG= -0.683266 Density= 3.498996 ETOT(band)= -1.768413 trlgG= -2.462606 logG= -0.683266 TDE= -4.586991 logGD-logG0= -0.102291 tlogG= -0.577447 logG= -0.679737 Density= 3.500279 ETOT(band)= -1.764392 trlgG= -2.457378 logG= -0.679737 TDE= -4.586322 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101216 tlogG= -0.588153 logG= -0.689369 Density= 3.497790 ETOT(band)= -1.773881 trlgG= -2.472883 logG= -0.689369 TDE= -4.590197 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102020 tlogG= -0.578660 logG= -0.680680 Density= 3.499730 ETOT(band)= -1.765770 trlgG= -2.458597 logG= -0.680680 TDE= -4.586157 logGD-logG0= -0.102384 tlogG= -0.577276 logG= -0.679660 Density= 3.500564 ETOT(band)= -1.764042 trlgG= -2.457019 logG= -0.679660 TDE= -4.586268 logGD-logG0= -0.100984 tlogG= -0.590838 logG= -0.691822 Density= 3.497289 ETOT(band)= -1.776147 trlgG= -2.476751 logG= -0.691822 TDE= -4.591210 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101124 tlogG= -0.586193 logG= -0.687317 Density= 3.497739 ETOT(band)= -1.772732 trlgG= -2.467143 logG= -0.687317 TDE= -4.586469 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101266 tlogG= -0.585544 logG= -0.686810 Density= 3.497908 ETOT(band)= -1.772075 trlgG= -2.468426 logG= -0.686810 TDE= -4.588395 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101285 tlogG= -0.585547 logG= -0.686832 Density= 3.498025 ETOT(band)= -1.771996 trlgG= -2.467863 logG= -0.686832 TDE= -4.587905 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101649 tlogG= -0.582273 logG= -0.683922 Density= 3.498799 ETOT(band)= -1.769012 trlgG= -2.464343 logG= -0.683922 TDE= -4.587914 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101174 tlogG= -0.587909 logG= -0.689083 Density= 3.497937 ETOT(band)= -1.773602 trlgG= -2.470751 logG= -0.689083 TDE= -4.588470 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101055 tlogG= -0.590425 logG= -0.691480 Density= 3.497297 ETOT(band)= -1.775850 trlgG= -2.476679 logG= -0.691480 TDE= -4.591488 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101933 tlogG= -0.578850 logG= -0.680783 Density= 3.499457 ETOT(band)= -1.766150 trlgG= -2.458989 logG= -0.680783 TDE= -4.586228 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101999 tlogG= -0.580332 logG= -0.682331 Density= 3.499669 ETOT(band)= -1.766906 trlgG= -2.461672 logG= -0.682331 TDE= -4.587533 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101843 tlogG= -0.580980 logG= -0.682823 Density= 3.499303 ETOT(band)= -1.767705 trlgG= -2.462105 logG= -0.682823 TDE= -4.587180 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101216 tlogG= -0.587386 logG= -0.688602 Density= 3.497710 ETOT(band)= -1.773451 trlgG= -2.471786 logG= -0.688602 TDE= -4.589803 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101402 tlogG= -0.585452 logG= -0.686854 Density= 3.498528 ETOT(band)= -1.771415 trlgG= -2.466965 logG= -0.686854 TDE= -4.587387 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101098 tlogG= -0.588691 logG= -0.689789 Density= 3.497575 ETOT(band)= -1.774486 trlgG= -2.472864 logG= -0.689789 TDE= -4.589586 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101357 tlogG= -0.585696 logG= -0.687053 Density= 3.498532 ETOT(band)= -1.771597 trlgG= -2.466216 logG= -0.687053 TDE= -4.586442 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101815 tlogG= -0.581956 logG= -0.683771 Density= 3.499354 ETOT(band)= -1.768292 trlgG= -2.463522 logG= -0.683771 TDE= -4.587691 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101466 tlogG= -0.585160 logG= -0.686626 Density= 3.498580 ETOT(band)= -1.771147 trlgG= -2.467300 logG= -0.686626 TDE= -4.587992 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101612 tlogG= -0.582857 logG= -0.684469 Density= 3.498974 ETOT(band)= -1.769291 trlgG= -2.463589 logG= -0.684469 TDE= -4.586754 logGD-logG0= -0.101517 tlogG= -0.584505 logG= -0.686022 Density= 3.498485 ETOT(band)= -1.770793 trlgG= -2.467933 logG= -0.686022 TDE= -4.589153 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101114 tlogG= -0.590296 logG= -0.691410 Density= 3.497507 ETOT(band)= -1.775539 trlgG= -2.476344 logG= -0.691410 TDE= -4.591392 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101344 tlogG= -0.587118 logG= -0.688463 Density= 3.498187 ETOT(band)= -1.772793 trlgG= -2.470943 logG= -0.688463 TDE= -4.589483 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101190 tlogG= -0.585895 logG= -0.687085 Density= 3.497788 ETOT(band)= -1.772449 trlgG= -2.468186 logG= -0.687085 TDE= -4.587783 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.102340 tlogG= -0.575565 logG= -0.677905 Density= 3.500362 ETOT(band)= -1.763097 trlgG= -2.454361 logG= -0.677905 TDE= -4.585203 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101385 tlogG= -0.585326 logG= -0.686711 Density= 3.498371 ETOT(band)= -1.771503 trlgG= -2.467430 logG= -0.686711 TDE= -4.587869 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101386 tlogG= -0.585041 logG= -0.686426 Density= 3.498212 ETOT(band)= -1.771428 trlgG= -2.468102 logG= -0.686426 TDE= -4.588698 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102811 tlogG= -0.573835 logG= -0.676645 Density= 3.501491 ETOT(band)= -1.760860 trlgG= -2.451954 logG= -0.676645 TDE= -4.584962 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101603 tlogG= -0.584327 logG= -0.685930 Density= 3.498791 ETOT(band)= -1.770380 trlgG= -2.467458 logG= -0.685930 TDE= -4.589016 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102108 tlogG= -0.578180 logG= -0.680288 Density= 3.499842 ETOT(band)= -1.765321 trlgG= -2.458148 logG= -0.680288 TDE= -4.586190 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.100916 tlogG= -0.590988 logG= -0.691904 Density= 3.497063 ETOT(band)= -1.776492 trlgG= -2.477018 logG= -0.691904 TDE= -4.591214 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.102199 tlogG= -0.578001 logG= -0.680199 Density= 3.500120 ETOT(band)= -1.764956 trlgG= -2.457752 logG= -0.680199 TDE= -4.586106 logGD-logG0= -0.101534 tlogG= -0.582778 logG= -0.684312 Density= 3.498557 ETOT(band)= -1.769610 trlgG= -2.464480 logG= -0.684312 TDE= -4.587467 logGD-logG0= -0.102572 tlogG= -0.574720 logG= -0.677292 Density= 3.500900 ETOT(band)= -1.762016 trlgG= -2.453072 logG= -0.677292 TDE= -4.584959 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101054 tlogG= -0.592129 logG= -0.693183 Density= 3.497265 ETOT(band)= -1.776978 trlgG= -2.479972 logG= -0.693183 TDE= -4.593051 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101112 tlogG= -0.587853 logG= -0.688965 Density= 3.497520 ETOT(band)= -1.773983 trlgG= -2.471847 logG= -0.688965 TDE= -4.589349 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101257 tlogG= -0.589707 logG= -0.690964 Density= 3.497804 ETOT(band)= -1.774844 trlgG= -2.475895 logG= -0.690964 TDE= -4.591626 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101014 tlogG= -0.588264 logG= -0.689278 Density= 3.497378 ETOT(band)= -1.774421 trlgG= -2.471397 logG= -0.689278 TDE= -4.588473 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101353 tlogG= -0.587578 logG= -0.688931 Density= 3.498075 ETOT(band)= -1.773202 trlgG= -2.472583 logG= -0.688931 TDE= -4.590564 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101707 tlogG= -0.582423 logG= -0.684130 Density= 3.499131 ETOT(band)= -1.768826 trlgG= -2.463637 logG= -0.684130 TDE= -4.587267 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.49980007352 eV TrLogG= -1610.60281716014 eV Ratio to renormalize= 1.000416350172 rho-rho_expected=-0.069917718650 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 19) Finished k-point number 20 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= 0.834709494647578 0.831838374640056 0.835126579624385 0.831751044049103 0.835293770532647 0.831673081693637 0.834960361933202 0.831728147999313 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101250 tlogG= -0.591421 logG= -0.692671 Density= 3.497684 ETOT(band)= -1.776126 trlgG= -2.479385 logG= -0.692671 TDE= -4.593313 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101851 tlogG= -0.580975 logG= -0.682826 Density= 3.499323 ETOT(band)= -1.767722 trlgG= -2.462126 logG= -0.682826 TDE= -4.587214 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101182 tlogG= -0.587904 logG= -0.689086 Density= 3.497956 ETOT(band)= -1.773618 trlgG= -2.470772 logG= -0.689086 TDE= -4.588502 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101293 tlogG= -0.585542 logG= -0.686835 Density= 3.498044 ETOT(band)= -1.772012 trlgG= -2.467886 logG= -0.686835 TDE= -4.587939 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101122 tlogG= -0.590291 logG= -0.691413 Density= 3.497526 ETOT(band)= -1.775555 trlgG= -2.476363 logG= -0.691413 TDE= -4.591422 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101267 tlogG= -0.587534 logG= -0.688801 Density= 3.498056 ETOT(band)= -1.773257 trlgG= -2.471009 logG= -0.688801 TDE= -4.589105 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101132 tlogG= -0.586189 logG= -0.687321 Density= 3.497758 ETOT(band)= -1.772748 trlgG= -2.467165 logG= -0.687321 TDE= -4.586502 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101941 tlogG= -0.578845 logG= -0.680786 Density= 3.499476 ETOT(band)= -1.766166 trlgG= -2.459012 logG= -0.680786 TDE= -4.586263 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101702 tlogG= -0.581568 logG= -0.683269 Density= 3.499015 ETOT(band)= -1.768430 trlgG= -2.462629 logG= -0.683269 TDE= -4.587027 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101274 tlogG= -0.585539 logG= -0.686813 Density= 3.497928 ETOT(band)= -1.772091 trlgG= -2.468447 logG= -0.686813 TDE= -4.588428 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101487 tlogG= -0.584834 logG= -0.686320 Density= 3.498556 ETOT(band)= -1.770988 trlgG= -2.467614 logG= -0.686320 TDE= -4.588592 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100991 tlogG= -0.590834 logG= -0.691825 Density= 3.497308 ETOT(band)= -1.776163 trlgG= -2.476770 logG= -0.691825 TDE= -4.591242 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101214 tlogG= -0.589810 logG= -0.691024 Density= 3.497630 ETOT(band)= -1.775132 trlgG= -2.476259 logG= -0.691024 TDE= -4.591791 logGD-logG0= -0.101393 tlogG= -0.585322 logG= -0.686714 Density= 3.498390 ETOT(band)= -1.771520 trlgG= -2.467452 logG= -0.686714 TDE= -4.587903 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100907 tlogG= -0.592789 logG= -0.693696 Density= 3.496992 ETOT(band)= -1.777776 trlgG= -2.480703 logG= -0.693696 TDE= -4.593051 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101410 tlogG= -0.585447 logG= -0.686858 Density= 3.498547 ETOT(band)= -1.771432 trlgG= -2.466988 logG= -0.686858 TDE= -4.587422 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101224 tlogG= -0.588148 logG= -0.689372 Density= 3.497809 ETOT(band)= -1.773897 trlgG= -2.472904 logG= -0.689372 TDE= -4.590231 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102116 tlogG= -0.578175 logG= -0.680291 Density= 3.499861 ETOT(band)= -1.765337 trlgG= -2.458168 logG= -0.680291 TDE= -4.586223 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102819 tlogG= -0.573830 logG= -0.676648 Density= 3.501510 ETOT(band)= -1.760875 trlgG= -2.451973 logG= -0.676648 TDE= -4.584994 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.100924 tlogG= -0.590983 logG= -0.691907 Density= 3.497082 ETOT(band)= -1.776508 trlgG= -2.477037 logG= -0.691907 TDE= -4.591246 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101444 tlogG= -0.583239 logG= -0.684683 Density= 3.498398 ETOT(band)= -1.770148 trlgG= -2.464424 logG= -0.684683 TDE= -4.586912 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102392 tlogG= -0.577271 logG= -0.679663 Density= 3.500583 ETOT(band)= -1.764058 trlgG= -2.457039 logG= -0.679663 TDE= -4.586301 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101120 tlogG= -0.587848 logG= -0.688969 Density= 3.497539 ETOT(band)= -1.773999 trlgG= -2.471868 logG= -0.688969 TDE= -4.589383 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101823 tlogG= -0.581951 logG= -0.683774 Density= 3.499373 ETOT(band)= -1.768308 trlgG= -2.463544 logG= -0.683774 TDE= -4.587724 logGD-logG0= -0.101224 tlogG= -0.587381 logG= -0.688605 Density= 3.497729 ETOT(band)= -1.773467 trlgG= -2.471807 logG= -0.688605 TDE= -4.589836 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101062 tlogG= -0.592124 logG= -0.693186 Density= 3.497284 ETOT(band)= -1.776993 trlgG= -2.479989 logG= -0.693186 TDE= -4.593081 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101265 tlogG= -0.589702 logG= -0.690967 Density= 3.497823 ETOT(band)= -1.774859 trlgG= -2.475912 logG= -0.690967 TDE= -4.591656 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102580 tlogG= -0.574715 logG= -0.677295 Density= 3.500919 ETOT(band)= -1.762032 trlgG= -2.453093 logG= -0.677295 TDE= -4.584992 logGD-logG0= -0.102007 tlogG= -0.580327 logG= -0.682334 Density= 3.499689 ETOT(band)= -1.766921 trlgG= -2.461693 logG= -0.682334 TDE= -4.587566 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101393 tlogG= -0.585036 logG= -0.686429 Density= 3.498231 ETOT(band)= -1.771445 trlgG= -2.468123 logG= -0.686429 TDE= -4.588731 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101657 tlogG= -0.582268 logG= -0.683925 Density= 3.498818 ETOT(band)= -1.769028 trlgG= -2.464364 logG= -0.683925 TDE= -4.587948 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102299 tlogG= -0.577442 logG= -0.679741 Density= 3.500298 ETOT(band)= -1.764408 trlgG= -2.457398 logG= -0.679741 TDE= -4.586354 logGD-logG0= -0.101611 tlogG= -0.584323 logG= -0.685934 Density= 3.498811 ETOT(band)= -1.770396 trlgG= -2.467479 logG= -0.685934 TDE= -4.589049 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101106 tlogG= -0.588687 logG= -0.689792 Density= 3.497594 ETOT(band)= -1.774502 trlgG= -2.472885 logG= -0.689792 TDE= -4.589619 logGD-logG0= -0.102348 tlogG= -0.575560 logG= -0.677908 Density= 3.500381 ETOT(band)= -1.763113 trlgG= -2.454383 logG= -0.677908 TDE= -4.585238 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101352 tlogG= -0.587114 logG= -0.688466 Density= 3.498207 ETOT(band)= -1.772809 trlgG= -2.470963 logG= -0.688466 TDE= -4.589516 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101542 tlogG= -0.582773 logG= -0.684315 Density= 3.498576 ETOT(band)= -1.769626 trlgG= -2.464501 logG= -0.684315 TDE= -4.587501 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101197 tlogG= -0.585891 logG= -0.687088 Density= 3.497807 ETOT(band)= -1.772465 trlgG= -2.468207 logG= -0.687088 TDE= -4.587817 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101361 tlogG= -0.587573 logG= -0.688934 Density= 3.498094 ETOT(band)= -1.773217 trlgG= -2.472603 logG= -0.688934 TDE= -4.590597 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101715 tlogG= -0.582418 logG= -0.684133 Density= 3.499150 ETOT(band)= -1.768842 trlgG= -2.463658 logG= -0.684133 TDE= -4.587301 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101063 tlogG= -0.590421 logG= -0.691483 Density= 3.497316 ETOT(band)= -1.775866 trlgG= -2.476697 logG= -0.691483 TDE= -4.591518 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101021 tlogG= -0.588259 logG= -0.689281 Density= 3.497397 ETOT(band)= -1.774438 trlgG= -2.471418 logG= -0.689281 TDE= -4.588506 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101474 tlogG= -0.585155 logG= -0.686629 Density= 3.498600 ETOT(band)= -1.771163 trlgG= -2.467322 logG= -0.686629 TDE= -4.588027 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102028 tlogG= -0.578655 logG= -0.680683 Density= 3.499749 ETOT(band)= -1.765786 trlgG= -2.458620 logG= -0.680683 TDE= -4.586192 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101525 tlogG= -0.584500 logG= -0.686025 Density= 3.498504 ETOT(band)= -1.770809 trlgG= -2.467954 logG= -0.686025 TDE= -4.589186 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101365 tlogG= -0.585692 logG= -0.687057 Density= 3.498551 ETOT(band)= -1.771613 trlgG= -2.466238 logG= -0.687057 TDE= -4.586476 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102207 tlogG= -0.577996 logG= -0.680203 Density= 3.500140 ETOT(band)= -1.764972 trlgG= -2.457771 logG= -0.680203 TDE= -4.586138 logGD-logG0= -0.101620 tlogG= -0.582852 logG= -0.684472 Density= 3.498993 ETOT(band)= -1.769308 trlgG= -2.463613 logG= -0.684472 TDE= -4.586789 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1156.51026559382 eV TrLogG= -1610.62642218682 eV Ratio to renormalize= 1.000410854521 rho-rho_expected=-0.068995212501 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834707987142156 0.831836839709530 0.835125080521356 0.831749504011329 0.835292275238445 0.831671540593406 0.834958858687619 0.831726609693594 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101443 tlogG= -0.583240 logG= -0.684683 Density= 3.498396 ETOT(band)= -1.770146 trlgG= -2.464423 logG= -0.684683 TDE= -4.586909 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101224 tlogG= -0.587382 logG= -0.688605 Density= 3.497727 ETOT(band)= -1.773466 trlgG= -2.471805 logG= -0.688605 TDE= -4.589834 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101181 tlogG= -0.587905 logG= -0.689086 Density= 3.497954 ETOT(band)= -1.773617 trlgG= -2.470770 logG= -0.689086 TDE= -4.588499 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101292 tlogG= -0.585543 logG= -0.686835 Density= 3.498043 ETOT(band)= -1.772011 trlgG= -2.467884 logG= -0.686835 TDE= -4.587936 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102206 tlogG= -0.577997 logG= -0.680203 Density= 3.500138 ETOT(band)= -1.764971 trlgG= -2.457770 logG= -0.680203 TDE= -4.586135 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101392 tlogG= -0.585322 logG= -0.686714 Density= 3.498388 ETOT(band)= -1.771518 trlgG= -2.467450 logG= -0.686714 TDE= -4.587900 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101273 tlogG= -0.585540 logG= -0.686813 Density= 3.497926 ETOT(band)= -1.772089 trlgG= -2.468446 logG= -0.686813 TDE= -4.588425 logGD-logG0= -0.100991 tlogG= -0.590834 logG= -0.691825 Density= 3.497306 ETOT(band)= -1.776162 trlgG= -2.476769 logG= -0.691825 TDE= -4.591239 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102818 tlogG= -0.573830 logG= -0.676648 Density= 3.501508 ETOT(band)= -1.760874 trlgG= -2.451972 logG= -0.676648 TDE= -4.584991 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101249 tlogG= -0.591421 logG= -0.692671 Density= 3.497682 ETOT(band)= -1.776125 trlgG= -2.479384 logG= -0.692671 TDE= -4.593311 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101473 tlogG= -0.585156 logG= -0.686629 Density= 3.498598 ETOT(band)= -1.771162 trlgG= -2.467320 logG= -0.686629 TDE= -4.588024 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101267 tlogG= -0.587535 logG= -0.688801 Density= 3.498054 ETOT(band)= -1.773256 trlgG= -2.471008 logG= -0.688801 TDE= -4.589102 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101850 tlogG= -0.580976 logG= -0.682826 Density= 3.499321 ETOT(band)= -1.767720 trlgG= -2.462124 logG= -0.682826 TDE= -4.587211 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102298 tlogG= -0.577442 logG= -0.679741 Density= 3.500296 ETOT(band)= -1.764407 trlgG= -2.457397 logG= -0.679741 TDE= -4.586351 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102116 tlogG= -0.578176 logG= -0.680291 Density= 3.499859 ETOT(band)= -1.765335 trlgG= -2.458167 logG= -0.680291 TDE= -4.586220 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101105 tlogG= -0.588687 logG= -0.689792 Density= 3.497593 ETOT(band)= -1.774501 trlgG= -2.472883 logG= -0.689792 TDE= -4.589616 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101061 tlogG= -0.592125 logG= -0.693186 Density= 3.497282 ETOT(band)= -1.776992 trlgG= -2.479988 logG= -0.693186 TDE= -4.593079 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100923 tlogG= -0.590984 logG= -0.691907 Density= 3.497080 ETOT(band)= -1.776507 trlgG= -2.477036 logG= -0.691907 TDE= -4.591243 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101131 tlogG= -0.586190 logG= -0.687321 Density= 3.497756 ETOT(band)= -1.772747 trlgG= -2.467164 logG= -0.687321 TDE= -4.586499 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102391 tlogG= -0.577272 logG= -0.679663 Density= 3.500581 ETOT(band)= -1.764057 trlgG= -2.457038 logG= -0.679663 TDE= -4.586298 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101486 tlogG= -0.584834 logG= -0.686320 Density= 3.498554 ETOT(band)= -1.770987 trlgG= -2.467613 logG= -0.686320 TDE= -4.588589 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101940 tlogG= -0.578846 logG= -0.680786 Density= 3.499474 ETOT(band)= -1.766165 trlgG= -2.459011 logG= -0.680786 TDE= -4.586260 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101701 tlogG= -0.581569 logG= -0.683269 Density= 3.499013 ETOT(band)= -1.768428 trlgG= -2.462628 logG= -0.683269 TDE= -4.587024 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101409 tlogG= -0.585448 logG= -0.686858 Density= 3.498545 ETOT(band)= -1.771431 trlgG= -2.466986 logG= -0.686858 TDE= -4.587419 logGD-logG0= -0.101062 tlogG= -0.590421 logG= -0.691483 Density= 3.497314 ETOT(band)= -1.775865 trlgG= -2.476696 logG= -0.691483 TDE= -4.591515 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101121 tlogG= -0.590292 logG= -0.691413 Density= 3.497524 ETOT(band)= -1.775554 trlgG= -2.476362 logG= -0.691413 TDE= -4.591420 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101021 tlogG= -0.588260 logG= -0.689281 Density= 3.497395 ETOT(band)= -1.774436 trlgG= -2.471417 logG= -0.689281 TDE= -4.588503 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100906 tlogG= -0.592790 logG= -0.693696 Density= 3.496990 ETOT(band)= -1.777775 trlgG= -2.480702 logG= -0.693696 TDE= -4.593049 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101213 tlogG= -0.589811 logG= -0.691024 Density= 3.497628 ETOT(band)= -1.775131 trlgG= -2.476258 logG= -0.691024 TDE= -4.591788 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102027 tlogG= -0.578656 logG= -0.680683 Density= 3.499747 ETOT(band)= -1.765785 trlgG= -2.458618 logG= -0.680683 TDE= -4.586189 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101351 tlogG= -0.587114 logG= -0.688466 Density= 3.498205 ETOT(band)= -1.772807 trlgG= -2.470962 logG= -0.688466 TDE= -4.589513 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101610 tlogG= -0.584323 logG= -0.685934 logGD-logG0= -0.101393 tlogG= -0.585037 logG= -0.686429 Density= 3.498809 ETOT(band)= -1.770395 trlgG= -2.467478 logG= -0.685934 TDE= -4.589046 Density= 3.498229 ETOT(band)= -1.771443 trlgG= -2.468121 logG= -0.686429 TDE= -4.588728 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101224 tlogG= -0.588149 logG= -0.689373 Density= 3.497807 ETOT(band)= -1.773896 trlgG= -2.472902 logG= -0.689373 TDE= -4.590228 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101714 tlogG= -0.582419 logG= -0.684133 Density= 3.499149 ETOT(band)= -1.768841 trlgG= -2.463657 logG= -0.684133 TDE= -4.587298 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101119 tlogG= -0.587849 logG= -0.688969 Density= 3.497537 ETOT(band)= -1.773998 trlgG= -2.471867 logG= -0.688969 TDE= -4.589380 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102347 tlogG= -0.575561 logG= -0.677908 Density= 3.500379 ETOT(band)= -1.763112 trlgG= -2.454382 logG= -0.677908 TDE= -4.585235 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101360 tlogG= -0.587574 logG= -0.688934 Density= 3.498092 ETOT(band)= -1.773216 trlgG= -2.472602 logG= -0.688934 TDE= -4.590594 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101541 tlogG= -0.582774 logG= -0.684315 Density= 3.498574 ETOT(band)= -1.769625 trlgG= -2.464500 logG= -0.684315 TDE= -4.587498 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101265 tlogG= -0.589703 logG= -0.690967 Density= 3.497821 ETOT(band)= -1.774858 trlgG= -2.475911 logG= -0.690967 TDE= -4.591653 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101364 tlogG= -0.585693 logG= -0.687057 Density= 3.498549 ETOT(band)= -1.771612 trlgG= -2.466237 logG= -0.687057 TDE= -4.586473 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101524 tlogG= -0.584500 logG= -0.686025 Density= 3.498502 ETOT(band)= -1.770807 trlgG= -2.467953 logG= -0.686025 TDE= -4.589183 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101822 tlogG= -0.581952 logG= -0.683774 Density= 3.499371 ETOT(band)= -1.768306 trlgG= -2.463542 logG= -0.683774 TDE= -4.587721 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101619 tlogG= -0.582853 logG= -0.684472 Density= 3.498991 ETOT(band)= -1.769306 trlgG= -2.463611 logG= -0.684472 TDE= -4.586786 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102579 tlogG= -0.574716 logG= -0.677295 Density= 3.500917 ETOT(band)= -1.762031 trlgG= -2.453091 logG= -0.677295 TDE= -4.584989 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101656 tlogG= -0.582269 logG= -0.683925 Density= 3.498816 ETOT(band)= -1.769027 trlgG= -2.464363 logG= -0.683925 TDE= -4.587945 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102006 tlogG= -0.580328 logG= -0.682334 Density= 3.499687 ETOT(band)= -1.766920 trlgG= -2.461692 logG= -0.682334 TDE= -4.587564 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101197 tlogG= -0.585891 logG= -0.687088 Density= 3.497805 ETOT(band)= -1.772464 trlgG= -2.468206 logG= -0.687088 TDE= -4.587814 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 Sum of eigenvalues= -1156.50948179761 eV TrLogG= -1610.62456296982 eV Ratio to renormalize= 1.000411396483 rho-rho_expected=-0.069086187261 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 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 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834706535690668 0.831835377621559 0.835123637692033 0.831748036376094 0.835290834636854 0.831670072889911 0.834957410813354 0.831725144639562 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101287 tlogG= -0.586190 logG= -0.687477 Density= 3.497870 ETOT(band)= -1.772643 trlgG= -2.467224 logG= -0.687477 TDE= -4.586496 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101261 tlogG= -0.588688 logG= -0.689949 Density= 3.497708 ETOT(band)= -1.774396 trlgG= -2.472944 logG= -0.689949 TDE= -4.589613 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101423 tlogG= -0.587535 logG= -0.688958 Density= 3.498170 ETOT(band)= -1.773150 trlgG= -2.471068 logG= -0.688958 TDE= -4.589099 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102007 tlogG= -0.580976 logG= -0.682983 Density= 3.499434 ETOT(band)= -1.767617 trlgG= -2.462187 logG= -0.682983 TDE= -4.587207 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101857 tlogG= -0.581569 logG= -0.683426 Density= 3.499126 ETOT(band)= -1.768325 trlgG= -2.462690 logG= -0.683426 TDE= -4.587020 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101380 tlogG= -0.587382 logG= -0.688762 Density= 3.497842 ETOT(band)= -1.773362 trlgG= -2.471866 logG= -0.688762 TDE= -4.589830 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101062 tlogG= -0.592790 logG= -0.693852 Density= 3.497106 ETOT(band)= -1.777669 trlgG= -2.480763 logG= -0.693852 TDE= -4.593045 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102097 tlogG= -0.578846 logG= -0.680943 Density= 3.499586 ETOT(band)= -1.766063 trlgG= -2.459074 logG= -0.680943 TDE= -4.586256 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101338 tlogG= -0.587905 logG= -0.689243 Density= 3.498070 ETOT(band)= -1.773511 trlgG= -2.470830 logG= -0.689243 TDE= -4.588496 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102163 tlogG= -0.580328 logG= -0.682491 Density= 3.499799 ETOT(band)= -1.766818 trlgG= -2.461755 logG= -0.682491 TDE= -4.587560 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101147 tlogG= -0.590835 logG= -0.691982 Density= 3.497422 ETOT(band)= -1.776056 trlgG= -2.476829 logG= -0.691982 TDE= -4.591236 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101369 tlogG= -0.589811 logG= -0.691180 Density= 3.497742 ETOT(band)= -1.775026 trlgG= -2.476320 logG= -0.691180 TDE= -4.591785 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101548 tlogG= -0.585323 logG= -0.686871 Density= 3.498503 ETOT(band)= -1.771413 trlgG= -2.467511 logG= -0.686871 TDE= -4.587896 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101643 tlogG= -0.584835 logG= -0.686477 Density= 3.498668 ETOT(band)= -1.770882 trlgG= -2.467674 logG= -0.686477 TDE= -4.588585 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101406 tlogG= -0.591422 logG= -0.692827 Density= 3.497796 ETOT(band)= -1.776020 trlgG= -2.479446 logG= -0.692827 TDE= -4.593307 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101767 tlogG= -0.584324 logG= -0.686090 Density= 3.498923 ETOT(band)= -1.770291 trlgG= -2.467540 logG= -0.686090 TDE= -4.589042 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101680 tlogG= -0.584501 logG= -0.686181 Density= 3.498616 ETOT(band)= -1.770704 trlgG= -2.468015 logG= -0.686181 TDE= -4.589180 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102272 tlogG= -0.578176 logG= -0.680448 Density= 3.499971 ETOT(band)= -1.765233 trlgG= -2.458231 logG= -0.680448 TDE= -4.586216 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101275 tlogG= -0.587849 logG= -0.689125 Density= 3.497652 ETOT(band)= -1.773893 trlgG= -2.471927 logG= -0.689125 TDE= -4.589376 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101566 tlogG= -0.585448 logG= -0.687015 Density= 3.498661 ETOT(band)= -1.771325 trlgG= -2.467047 logG= -0.687015 TDE= -4.587415 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101177 tlogG= -0.588260 logG= -0.689437 Density= 3.497510 ETOT(band)= -1.774331 trlgG= -2.471477 logG= -0.689437 TDE= -4.588500 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101630 tlogG= -0.585156 logG= -0.686786 Density= 3.498713 ETOT(band)= -1.771057 trlgG= -2.467382 logG= -0.686786 TDE= -4.588020 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101871 tlogG= -0.582419 logG= -0.684290 Density= 3.499263 ETOT(band)= -1.768737 trlgG= -2.463719 logG= -0.684290 TDE= -4.587294 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102548 tlogG= -0.577272 logG= -0.679821 Density= 3.500692 ETOT(band)= -1.763956 trlgG= -2.457102 logG= -0.679821 TDE= -4.586294 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101079 tlogG= -0.590985 logG= -0.692063 Density= 3.497196 ETOT(band)= -1.776402 trlgG= -2.477096 logG= -0.692063 TDE= -4.591240 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101448 tlogG= -0.585543 logG= -0.686991 Density= 3.498157 ETOT(band)= -1.771906 trlgG= -2.467945 logG= -0.686991 TDE= -4.587932 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101352 tlogG= -0.585892 logG= -0.687244 Density= 3.497919 ETOT(band)= -1.772360 trlgG= -2.468267 logG= -0.687244 TDE= -4.587810 logGD-logG0= -0.101813 tlogG= -0.582269 logG= -0.684082 Density= 3.498929 ETOT(band)= -1.768924 trlgG= -2.464425 logG= -0.684082 TDE= -4.587941 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101516 tlogG= -0.587574 logG= -0.689091 Density= 3.498206 ETOT(band)= -1.773112 trlgG= -2.472663 logG= -0.689091 TDE= -4.590591 logGD-logG0= -0.101218 tlogG= -0.592125 logG= -0.693343 Density= 3.497397 ETOT(band)= -1.776887 trlgG= -2.480049 logG= -0.693343 TDE= -4.593076 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101429 tlogG= -0.585540 logG= -0.686969 Density= 3.498040 ETOT(band)= -1.771985 trlgG= -2.468506 logG= -0.686969 TDE= -4.588422 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102504 tlogG= -0.575561 logG= -0.678066 Density= 3.500490 ETOT(band)= -1.763011 trlgG= -2.454446 logG= -0.678066 TDE= -4.585231 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101599 tlogG= -0.583240 logG= -0.684840 Density= 3.498510 ETOT(band)= -1.770043 trlgG= -2.464484 logG= -0.684840 TDE= -4.586906 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101979 tlogG= -0.581952 logG= -0.683931 Density= 3.499485 ETOT(band)= -1.768203 trlgG= -2.463605 logG= -0.683931 TDE= -4.587717 logGD-logG0= -0.102455 tlogG= -0.577443 logG= -0.679898 Density= 3.500408 ETOT(band)= -1.764306 trlgG= -2.457461 logG= -0.679898 TDE= -4.586348 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102736 tlogG= -0.574716 logG= -0.677453 Density= 3.501028 ETOT(band)= -1.761930 trlgG= -2.453157 logG= -0.677453 TDE= -4.584986 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101776 tlogG= -0.582853 logG= -0.684629 Density= 3.499105 ETOT(band)= -1.769202 trlgG= -2.463672 logG= -0.684629 TDE= -4.586782 logGD-logG0= -0.101421 tlogG= -0.589703 logG= -0.691124 Density= 3.497935 ETOT(band)= -1.774753 trlgG= -2.475973 logG= -0.691124 TDE= -4.591650 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101521 tlogG= -0.585693 logG= -0.687214 Density= 3.498665 ETOT(band)= -1.771506 trlgG= -2.466297 logG= -0.687214 TDE= -4.586469 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101277 tlogG= -0.590292 logG= -0.691569 Density= 3.497640 ETOT(band)= -1.775449 trlgG= -2.476423 logG= -0.691569 TDE= -4.591416 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102363 tlogG= -0.577997 logG= -0.680360 Density= 3.500250 ETOT(band)= -1.764869 trlgG= -2.457834 logG= -0.680360 TDE= -4.586132 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101697 tlogG= -0.582774 logG= -0.684472 Density= 3.498688 ETOT(band)= -1.769521 trlgG= -2.464562 logG= -0.684472 TDE= -4.587494 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101380 tlogG= -0.588149 logG= -0.689529 Density= 3.497922 ETOT(band)= -1.773791 trlgG= -2.472963 logG= -0.689529 TDE= -4.590224 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101549 tlogG= -0.585037 logG= -0.686586 Density= 3.498343 ETOT(band)= -1.771339 trlgG= -2.468183 logG= -0.686586 TDE= -4.588724 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101218 tlogG= -0.590422 logG= -0.691640 Density= 3.497429 ETOT(band)= -1.775760 trlgG= -2.476757 logG= -0.691640 TDE= -4.591512 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102975 tlogG= -0.573831 logG= -0.676806 Density= 3.501618 ETOT(band)= -1.760775 trlgG= -2.452038 logG= -0.676806 TDE= -4.584988 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101508 tlogG= -0.587115 logG= -0.688623 Density= 3.498320 ETOT(band)= -1.772703 trlgG= -2.471023 logG= -0.688623 TDE= -4.589509 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102184 tlogG= -0.578656 logG= -0.680840 Density= 3.499860 ETOT(band)= -1.765682 trlgG= -2.458681 logG= -0.680840 TDE= -4.586185 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 Sum of eigenvalues= -1156.44162846204 eV TrLogG= -1610.72453326176 eV Ratio to renormalize= 1.000378833303 rho-rho_expected=-0.063619893544 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 28) Finished k-point number 29 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= 0.834699776407623 0.831828560941926 0.835116914652480 0.831741194195604 0.835284125530938 0.831663226786815 0.834950661925268 0.831718312956988 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101143 tlogG= -0.590838 logG= -0.691981 Density= 3.497412 ETOT(band)= -1.776049 trlgG= -2.476822 logG= -0.691981 TDE= -4.591222 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101366 tlogG= -0.589814 logG= -0.691180 Density= 3.497733 ETOT(band)= -1.775020 trlgG= -2.476313 logG= -0.691180 TDE= -4.591772 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101425 tlogG= -0.585543 logG= -0.686968 Density= 3.498031 ETOT(band)= -1.771979 trlgG= -2.468498 logG= -0.686968 TDE= -4.588407 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101809 tlogG= -0.582272 logG= -0.684081 Density= 3.498920 ETOT(band)= -1.768917 trlgG= -2.464417 logG= -0.684081 TDE= -4.587926 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102269 tlogG= -0.578179 logG= -0.680448 Density= 3.499962 ETOT(band)= -1.765227 trlgG= -2.458223 logG= -0.680448 TDE= -4.586202 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101402 tlogG= -0.591425 logG= -0.692827 Density= 3.497787 ETOT(band)= -1.776014 trlgG= -2.479440 logG= -0.692827 TDE= -4.593295 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101854 tlogG= -0.581572 logG= -0.683426 Density= 3.499117 ETOT(band)= -1.768318 trlgG= -2.462681 logG= -0.683426 TDE= -4.587004 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101763 tlogG= -0.584327 logG= -0.686090 Density= 3.498913 ETOT(band)= -1.770284 trlgG= -2.467532 logG= -0.686090 TDE= -4.589027 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101334 tlogG= -0.587908 logG= -0.689242 Density= 3.498061 ETOT(band)= -1.773504 trlgG= -2.470823 logG= -0.689242 TDE= -4.588481 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101562 tlogG= -0.585451 logG= -0.687014 Density= 3.498652 ETOT(band)= -1.771318 trlgG= -2.467038 logG= -0.687014 TDE= -4.587399 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101349 tlogG= -0.585895 logG= -0.687243 Density= 3.497910 ETOT(band)= -1.772353 trlgG= -2.468258 logG= -0.687243 TDE= -4.587795 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101444 tlogG= -0.585546 logG= -0.686991 Density= 3.498148 ETOT(band)= -1.771899 trlgG= -2.467936 logG= -0.686991 TDE= -4.587917 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102093 tlogG= -0.578849 logG= -0.680942 Density= 3.499577 ETOT(band)= -1.766056 trlgG= -2.459065 logG= -0.680942 TDE= -4.586240 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101419 tlogG= -0.587538 logG= -0.688957 logGD-logG0= -0.101595 tlogG= -0.583243 logG= -0.684839 Density= 3.498160 ETOT(band)= -1.773144 trlgG= -2.471060 logG= -0.688957 TDE= -4.589084 Density= 3.498501 ETOT(band)= -1.770036 trlgG= -2.464475 logG= -0.684839 TDE= -4.586890 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101058 tlogG= -0.592794 logG= -0.693852 Density= 3.497097 ETOT(band)= -1.777663 trlgG= -2.480755 logG= -0.693852 TDE= -4.593031 logGD-logG0= -0.102003 tlogG= -0.580979 logG= -0.682982 Density= 3.499425 ETOT(band)= -1.767611 trlgG= -2.462179 logG= -0.682982 TDE= -4.587192 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101272 tlogG= -0.587852 logG= -0.689124 Density= 3.497643 ETOT(band)= -1.773886 trlgG= -2.471919 logG= -0.689124 TDE= -4.589361 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101283 tlogG= -0.586193 logG= -0.687476 Density= 3.497861 ETOT(band)= -1.772636 trlgG= -2.467216 logG= -0.687476 TDE= -4.586481 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102180 tlogG= -0.578659 logG= -0.680840 Density= 3.499850 ETOT(band)= -1.765676 trlgG= -2.458672 logG= -0.680840 TDE= -4.586170 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101639 tlogG= -0.584838 logG= -0.686477 Density= 3.498659 ETOT(band)= -1.770875 trlgG= -2.467666 logG= -0.686477 TDE= -4.588571 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101693 tlogG= -0.582778 logG= -0.684471 Density= 3.498679 ETOT(band)= -1.769515 trlgG= -2.464553 logG= -0.684471 TDE= -4.587479 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101417 tlogG= -0.589706 logG= -0.691123 Density= 3.497926 ETOT(band)= -1.774747 trlgG= -2.475967 logG= -0.691123 TDE= -4.591637 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101772 tlogG= -0.582856 logG= -0.684628 Density= 3.499096 ETOT(band)= -1.769195 trlgG= -2.463663 logG= -0.684628 TDE= -4.586767 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101976 tlogG= -0.581955 logG= -0.683931 Density= 3.499476 ETOT(band)= -1.768196 trlgG= -2.463596 logG= -0.683931 TDE= -4.587703 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101517 tlogG= -0.585696 logG= -0.687213 Density= 3.498656 ETOT(band)= -1.771499 trlgG= -2.466288 logG= -0.687213 TDE= -4.586454 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101257 tlogG= -0.588691 logG= -0.689948 Density= 3.497699 ETOT(band)= -1.774389 trlgG= -2.472935 logG= -0.689948 TDE= -4.589598 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101545 tlogG= -0.585326 logG= -0.686870 Density= 3.498494 ETOT(band)= -1.771407 trlgG= -2.467502 logG= -0.686870 TDE= -4.587881 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101867 tlogG= -0.582422 logG= -0.684290 Density= 3.499254 ETOT(band)= -1.768730 trlgG= -2.463710 logG= -0.684290 TDE= -4.587279 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102971 tlogG= -0.573834 logG= -0.676805 Density= 3.501608 ETOT(band)= -1.760768 trlgG= -2.452031 logG= -0.676805 TDE= -4.584973 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.102359 tlogG= -0.578000 logG= -0.680359 Density= 3.500241 ETOT(band)= -1.764862 trlgG= -2.457826 logG= -0.680359 TDE= -4.586117 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.102545 tlogG= -0.577276 logG= -0.679820 Density= 3.500683 ETOT(band)= -1.763949 trlgG= -2.457095 logG= -0.679820 TDE= -4.586280 logGD-logG0= -0.102159 tlogG= -0.580331 logG= -0.682490 Density= 3.499790 ETOT(band)= -1.766811 trlgG= -2.461747 logG= -0.682490 TDE= -4.587545 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101376 tlogG= -0.587385 logG= -0.688761 Density= 3.497832 ETOT(band)= -1.773355 trlgG= -2.471858 logG= -0.688761 TDE= -4.589815 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102500 tlogG= -0.575564 logG= -0.678065 Density= 3.500481 ETOT(band)= -1.763004 trlgG= -2.454437 logG= -0.678065 TDE= -4.585215 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101273 tlogG= -0.590295 logG= -0.691569 Density= 3.497630 ETOT(band)= -1.775443 trlgG= -2.476416 logG= -0.691569 TDE= -4.591403 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101376 tlogG= -0.588152 logG= -0.689528 Density= 3.497913 ETOT(band)= -1.773785 trlgG= -2.472955 logG= -0.689528 TDE= -4.590209 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101513 tlogG= -0.587578 logG= -0.689090 Density= 3.498197 ETOT(band)= -1.773106 trlgG= -2.472655 logG= -0.689090 TDE= -4.590576 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101214 tlogG= -0.592128 logG= -0.693342 Density= 3.497388 ETOT(band)= -1.776881 trlgG= -2.480043 logG= -0.693342 TDE= -4.593062 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101545 tlogG= -0.585040 logG= -0.686585 Density= 3.498334 ETOT(band)= -1.771333 trlgG= -2.468175 logG= -0.686585 TDE= -4.588710 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101214 tlogG= -0.590425 logG= -0.691639 Density= 3.497420 ETOT(band)= -1.775753 trlgG= -2.476750 logG= -0.691639 TDE= -4.591499 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101677 tlogG= -0.584504 logG= -0.686181 Density= 3.498606 ETOT(band)= -1.770698 trlgG= -2.468007 logG= -0.686181 TDE= -4.589165 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102732 tlogG= -0.574720 logG= -0.677452 Density= 3.501018 ETOT(band)= -1.761924 trlgG= -2.453149 logG= -0.677452 TDE= -4.584971 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101504 tlogG= -0.587118 logG= -0.688622 Density= 3.498310 ETOT(band)= -1.772696 trlgG= -2.471015 logG= -0.688622 TDE= -4.589495 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101173 tlogG= -0.588263 logG= -0.689436 Density= 3.497501 ETOT(band)= -1.774325 trlgG= -2.471469 logG= -0.689436 TDE= -4.588485 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102451 tlogG= -0.577446 logG= -0.679897 Density= 3.500398 ETOT(band)= -1.764299 trlgG= -2.457454 logG= -0.679897 TDE= -4.586334 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101626 tlogG= -0.585159 logG= -0.686785 Density= 3.498704 ETOT(band)= -1.771051 trlgG= -2.467373 logG= -0.686785 TDE= -4.588004 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101075 tlogG= -0.590988 logG= -0.692063 Density= 3.497187 ETOT(band)= -1.776396 trlgG= -2.477089 logG= -0.692063 TDE= -4.591226 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 Sum of eigenvalues= -1156.43730899207 eV TrLogG= -1610.71448435037 eV Ratio to renormalize= 1.000381445727 rho-rho_expected=-0.064058447387 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 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= 105 10) Finished k-point number 11 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 0) Finished k-point number 1 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= 0.834682865029742 0.831811476764475 0.835100088739702 0.831724047804574 0.835267402437135 0.831646035818295 0.834933764361578 0.831701190602696 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101393 tlogG= -0.591436 logG= -0.692828 Density= 3.497764 ETOT(band)= -1.776002 trlgG= -2.479432 logG= -0.692828 TDE= -4.593267 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101356 tlogG= -0.589825 logG= -0.691181 Density= 3.497711 ETOT(band)= -1.775007 trlgG= -2.476304 logG= -0.691181 TDE= -4.591743 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101435 tlogG= -0.585556 logG= -0.686991 Density= 3.498125 ETOT(band)= -1.771886 trlgG= -2.467921 logG= -0.686991 TDE= -4.587882 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101586 tlogG= -0.583253 logG= -0.684840 Density= 3.498478 ETOT(band)= -1.770022 trlgG= -2.464458 logG= -0.684840 TDE= -4.586854 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101993 tlogG= -0.580990 logG= -0.682983 Density= 3.499402 ETOT(band)= -1.767597 trlgG= -2.462165 logG= -0.682983 TDE= -4.587159 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101367 tlogG= -0.587395 logG= -0.688762 Density= 3.497810 ETOT(band)= -1.773342 trlgG= -2.471844 logG= -0.688762 TDE= -4.589782 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102084 tlogG= -0.578860 logG= -0.680943 Density= 3.499555 ETOT(band)= -1.766042 trlgG= -2.459048 logG= -0.680943 TDE= -4.586205 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101205 tlogG= -0.592139 logG= -0.693343 Density= 3.497365 ETOT(band)= -1.776868 trlgG= -2.480033 logG= -0.693343 TDE= -4.593033 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102149 tlogG= -0.580342 logG= -0.682491 Density= 3.499767 ETOT(band)= -1.766798 trlgG= -2.461733 logG= -0.682491 TDE= -4.587512 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102259 tlogG= -0.578190 logG= -0.680449 Density= 3.499939 ETOT(band)= -1.765214 trlgG= -2.458210 logG= -0.680449 TDE= -4.586170 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101134 tlogG= -0.590848 logG= -0.691982 Density= 3.497390 ETOT(band)= -1.776036 trlgG= -2.476809 logG= -0.691982 TDE= -4.591190 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101248 tlogG= -0.588701 logG= -0.689949 Density= 3.497676 ETOT(band)= -1.774376 trlgG= -2.472921 logG= -0.689949 TDE= -4.589565 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101049 tlogG= -0.592804 logG= -0.693853 Density= 3.497074 ETOT(band)= -1.777650 trlgG= -2.480743 logG= -0.693853 TDE= -4.593000 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101264 tlogG= -0.590306 logG= -0.691570 Density= 3.497608 ETOT(band)= -1.775430 trlgG= -2.476404 logG= -0.691570 TDE= -4.591372 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101553 tlogG= -0.585461 logG= -0.687014 Density= 3.498630 ETOT(band)= -1.771304 trlgG= -2.467021 logG= -0.687014 TDE= -4.587364 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101410 tlogG= -0.587548 logG= -0.688958 Density= 3.498138 ETOT(band)= -1.773130 trlgG= -2.471046 logG= -0.688958 TDE= -4.589051 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101503 tlogG= -0.587588 logG= -0.689091 Density= 3.498174 ETOT(band)= -1.773093 trlgG= -2.472642 logG= -0.689091 TDE= -4.590543 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102962 tlogG= -0.573845 logG= -0.676806 Density= 3.501586 ETOT(band)= -1.760755 trlgG= -2.452018 logG= -0.676806 TDE= -4.584942 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101495 tlogG= -0.587128 logG= -0.688623 Density= 3.498288 ETOT(band)= -1.772683 trlgG= -2.471001 logG= -0.688623 TDE= -4.589462 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101536 tlogG= -0.585050 logG= -0.686586 Density= 3.498311 ETOT(band)= -1.771319 trlgG= -2.468160 logG= -0.686586 TDE= -4.588676 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101508 tlogG= -0.585705 logG= -0.687213 Density= 3.498634 ETOT(band)= -1.771486 trlgG= -2.466272 logG= -0.687213 TDE= -4.586419 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101535 tlogG= -0.585336 logG= -0.686871 Density= 3.498472 ETOT(band)= -1.771393 trlgG= -2.467487 logG= -0.686871 TDE= -4.587847 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101274 tlogG= -0.586203 logG= -0.687477 Density= 3.497839 ETOT(band)= -1.772622 trlgG= -2.467200 logG= -0.687477 TDE= -4.586447 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101844 tlogG= -0.581582 logG= -0.683426 Density= 3.499095 ETOT(band)= -1.768305 trlgG= -2.462664 logG= -0.683426 TDE= -4.586968 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101164 tlogG= -0.588273 logG= -0.689437 Density= 3.497479 ETOT(band)= -1.774311 trlgG= -2.471455 logG= -0.689437 TDE= -4.588452 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102491 tlogG= -0.575575 logG= -0.678066 Density= 3.500458 ETOT(band)= -1.762991 trlgG= -2.454421 logG= -0.678066 TDE= -4.585180 logGD-logG0= -0.101325 tlogG= -0.587918 logG= -0.689243 Density= 3.498038 ETOT(band)= -1.773491 trlgG= -2.470809 logG= -0.689243 TDE= -4.588449 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101408 tlogG= -0.589717 logG= -0.691124 Density= 3.497904 ETOT(band)= -1.774734 trlgG= -2.475957 logG= -0.691124 TDE= -4.591607 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101629 tlogG= -0.584848 logG= -0.686477 Density= 3.498637 ETOT(band)= -1.770863 trlgG= -2.467651 logG= -0.686477 TDE= -4.588537 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101416 tlogG= -0.585554 logG= -0.686969 Density= 3.498008 ETOT(band)= -1.771965 trlgG= -2.468483 logG= -0.686969 TDE= -4.588373 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101754 tlogG= -0.584337 logG= -0.686091 Density= 3.498891 ETOT(band)= -1.770271 trlgG= -2.467518 logG= -0.686091 TDE= -4.588994 logGD-logG0= -0.101684 tlogG= -0.582788 logG= -0.684472 Density= 3.498656 ETOT(band)= -1.769502 trlgG= -2.464539 logG= -0.684472 TDE= -4.587446 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101966 tlogG= -0.581965 logG= -0.683931 Density= 3.499453 ETOT(band)= -1.768183 trlgG= -2.463582 logG= -0.683931 TDE= -4.587669 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101340 tlogG= -0.585905 logG= -0.687244 Density= 3.497888 ETOT(band)= -1.772340 trlgG= -2.468243 logG= -0.687244 TDE= -4.587761 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.101205 tlogG= -0.590435 logG= -0.691640 Density= 3.497398 ETOT(band)= -1.775740 trlgG= -2.476739 logG= -0.691640 TDE= -4.591468 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102723 tlogG= -0.574730 logG= -0.677453 Density= 3.500996 ETOT(band)= -1.761911 trlgG= -2.453135 logG= -0.677453 TDE= -4.584938 logGD-logG0= -0.101262 tlogG= -0.587863 logG= -0.689125 Density= 3.497621 ETOT(band)= -1.773873 trlgG= -2.471905 logG= -0.689125 TDE= -4.589328 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101858 tlogG= -0.582432 logG= -0.684290 Density= 3.499231 ETOT(band)= -1.768717 trlgG= -2.463696 logG= -0.684290 TDE= -4.587246 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101367 tlogG= -0.588163 logG= -0.689529 Density= 3.497891 ETOT(band)= -1.773772 trlgG= -2.472941 logG= -0.689529 TDE= -4.590176 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101066 tlogG= -0.590998 logG= -0.692064 Density= 3.497164 ETOT(band)= -1.776382 trlgG= -2.477076 logG= -0.692064 TDE= -4.591194 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101667 tlogG= -0.584514 logG= -0.686182 Density= 3.498584 ETOT(band)= -1.770684 trlgG= -2.467992 logG= -0.686182 TDE= -4.589132 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102350 tlogG= -0.578010 logG= -0.680360 Density= 3.500218 ETOT(band)= -1.764849 trlgG= -2.457813 logG= -0.680360 TDE= -4.586085 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102442 tlogG= -0.577456 logG= -0.679898 Density= 3.500376 ETOT(band)= -1.764286 trlgG= -2.457441 logG= -0.679898 TDE= -4.586301 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102171 tlogG= -0.578669 logG= -0.680840 Density= 3.499828 ETOT(band)= -1.765662 trlgG= -2.458655 logG= -0.680840 TDE= -4.586134 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101800 tlogG= -0.582282 logG= -0.684082 Density= 3.498897 ETOT(band)= -1.768904 trlgG= -2.464402 logG= -0.684082 TDE= -4.587893 logGD-logG0= -0.102535 tlogG= -0.577286 logG= -0.679821 Density= 3.500661 ETOT(band)= -1.763936 trlgG= -2.457082 logG= -0.679821 TDE= -4.586248 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101763 tlogG= -0.582866 logG= -0.684629 Density= 3.499074 ETOT(band)= -1.769181 trlgG= -2.463646 logG= -0.684629 TDE= -4.586731 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101617 tlogG= -0.585169 logG= -0.686786 Density= 3.498681 ETOT(band)= -1.771037 trlgG= -2.467357 logG= -0.686786 TDE= -4.587970 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 Sum of eigenvalues= -1156.42866381955 eV TrLogG= -1610.69357950279 eV Ratio to renormalize= 1.000387855081 rho-rho_expected=-0.065134390911 nargs= 1 argi=dmft2.def 21) Finished k-point number 22 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 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 2) Finished k-point number 3 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834681494571898 0.831810061324263 0.835098728224962 0.831722627394287 0.835266047509583 0.831644612686189 0.834932397664202 0.831699771483420 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101048 tlogG= -0.592805 logG= -0.693853 Density= 3.497073 ETOT(band)= -1.777648 trlgG= -2.480742 logG= -0.693853 TDE= -4.592997 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102083 tlogG= -0.578860 logG= -0.680943 Density= 3.499553 ETOT(band)= -1.766041 trlgG= -2.459046 logG= -0.680943 TDE= -4.586201 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101247 tlogG= -0.588702 logG= -0.689949 Density= 3.497675 ETOT(band)= -1.774374 trlgG= -2.472919 logG= -0.689949 TDE= -4.589561 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101273 tlogG= -0.586203 logG= -0.687477 Density= 3.497837 ETOT(band)= -1.772620 trlgG= -2.467198 logG= -0.687477 TDE= -4.586444 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101065 tlogG= -0.590999 logG= -0.692064 Density= 3.497163 ETOT(band)= -1.776380 trlgG= -2.477075 logG= -0.692064 TDE= -4.591191 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101204 tlogG= -0.592140 logG= -0.693344 Density= 3.497364 ETOT(band)= -1.776866 trlgG= -2.480031 logG= -0.693344 TDE= -4.593029 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101629 tlogG= -0.584849 logG= -0.686477 Density= 3.498635 ETOT(band)= -1.770861 trlgG= -2.467649 logG= -0.686477 TDE= -4.588533 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101262 tlogG= -0.587863 logG= -0.689125 Density= 3.497619 ETOT(band)= -1.773872 trlgG= -2.471903 logG= -0.689125 TDE= -4.589325 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101415 tlogG= -0.585554 logG= -0.686970 Density= 3.498007 ETOT(band)= -1.771963 trlgG= -2.468481 logG= -0.686970 TDE= -4.588370 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101667 tlogG= -0.584515 logG= -0.686182 Density= 3.498582 ETOT(band)= -1.770683 trlgG= -2.467990 logG= -0.686182 TDE= -4.589128 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101366 tlogG= -0.588164 logG= -0.689530 Density= 3.497889 ETOT(band)= -1.773770 trlgG= -2.472939 logG= -0.689530 TDE= -4.590172 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101535 tlogG= -0.585336 logG= -0.686871 Density= 3.498470 ETOT(band)= -1.771391 trlgG= -2.467485 logG= -0.686871 TDE= -4.587843 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101435 tlogG= -0.585557 logG= -0.686992 Density= 3.498124 ETOT(band)= -1.771884 trlgG= -2.467919 logG= -0.686992 TDE= -4.587879 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101133 tlogG= -0.590849 logG= -0.691982 Density= 3.497388 ETOT(band)= -1.776034 trlgG= -2.476808 logG= -0.691982 TDE= -4.591187 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.102534 tlogG= -0.577287 logG= -0.679821 Density= 3.500659 ETOT(band)= -1.763934 trlgG= -2.457080 logG= -0.679821 TDE= -4.586245 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101535 tlogG= -0.585051 logG= -0.686586 Density= 3.498310 ETOT(band)= -1.771318 trlgG= -2.468158 logG= -0.686586 TDE= -4.588673 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101392 tlogG= -0.591437 logG= -0.692829 Density= 3.497763 ETOT(band)= -1.776000 trlgG= -2.479431 logG= -0.692829 TDE= -4.593264 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101844 tlogG= -0.581583 logG= -0.683427 Density= 3.499093 ETOT(band)= -1.768303 trlgG= -2.462662 logG= -0.683427 TDE= -4.586965 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101366 tlogG= -0.587396 logG= -0.688762 Density= 3.497808 ETOT(band)= -1.773340 trlgG= -2.471842 logG= -0.688762 TDE= -4.589778 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102258 tlogG= -0.578190 logG= -0.680449 Density= 3.499938 ETOT(band)= -1.765212 trlgG= -2.458208 logG= -0.680449 TDE= -4.586166 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101753 tlogG= -0.584338 logG= -0.686091 Density= 3.498889 ETOT(band)= -1.770269 trlgG= -2.467516 logG= -0.686091 TDE= -4.588991 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102441 tlogG= -0.577457 logG= -0.679898 Density= 3.500374 ETOT(band)= -1.764284 trlgG= -2.457439 logG= -0.679898 TDE= -4.586298 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101204 tlogG= -0.590436 logG= -0.691640 Density= 3.497396 ETOT(band)= -1.775739 trlgG= -2.476738 logG= -0.691640 TDE= -4.591465 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101356 tlogG= -0.589825 logG= -0.691181 Density= 3.497709 ETOT(band)= -1.775005 trlgG= -2.476302 logG= -0.691181 TDE= -4.591740 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101553 tlogG= -0.585462 logG= -0.687014 Density= 3.498628 ETOT(band)= -1.771303 trlgG= -2.467019 logG= -0.687014 TDE= -4.587361 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101409 tlogG= -0.587549 logG= -0.688958 Density= 3.498137 ETOT(band)= -1.773129 trlgG= -2.471044 logG= -0.688958 TDE= -4.589048 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101324 tlogG= -0.587919 logG= -0.689243 Density= 3.498037 ETOT(band)= -1.773489 trlgG= -2.470807 logG= -0.689243 TDE= -4.588446 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101993 tlogG= -0.580991 logG= -0.682983 Density= 3.499400 ETOT(band)= -1.767596 trlgG= -2.462163 logG= -0.682983 TDE= -4.587156 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101966 tlogG= -0.581966 logG= -0.683932 Density= 3.499452 ETOT(band)= -1.768181 trlgG= -2.463580 logG= -0.683932 TDE= -4.587666 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101507 tlogG= -0.585706 logG= -0.687213 Density= 3.498632 ETOT(band)= -1.771484 trlgG= -2.466269 logG= -0.687213 TDE= -4.586416 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102961 tlogG= -0.573846 logG= -0.676807 Density= 3.501584 ETOT(band)= -1.760753 trlgG= -2.452017 logG= -0.676807 TDE= -4.584938 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102722 tlogG= -0.574731 logG= -0.677453 Density= 3.500994 ETOT(band)= -1.761909 trlgG= -2.453133 logG= -0.677453 TDE= -4.584935 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102349 tlogG= -0.578011 logG= -0.680360 Density= 3.500216 ETOT(band)= -1.764847 trlgG= -2.457811 logG= -0.680360 TDE= -4.586082 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101263 tlogG= -0.590307 logG= -0.691570 Density= 3.497606 ETOT(band)= -1.775428 trlgG= -2.476402 logG= -0.691570 TDE= -4.591369 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101407 tlogG= -0.589717 logG= -0.691125 Density= 3.497902 ETOT(band)= -1.774732 trlgG= -2.475955 logG= -0.691125 TDE= -4.591604 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101799 tlogG= -0.582283 logG= -0.684082 Density= 3.498896 ETOT(band)= -1.768902 trlgG= -2.464400 logG= -0.684082 TDE= -4.587890 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101586 tlogG= -0.583254 logG= -0.684840 Density= 3.498477 ETOT(band)= -1.770021 trlgG= -2.464456 logG= -0.684840 TDE= -4.586851 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101503 tlogG= -0.587589 logG= -0.689091 Density= 3.498173 ETOT(band)= -1.773091 trlgG= -2.472640 logG= -0.689091 TDE= -4.590539 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101339 tlogG= -0.585905 logG= -0.687244 Density= 3.497886 ETOT(band)= -1.772338 trlgG= -2.468241 logG= -0.687244 TDE= -4.587758 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.102149 tlogG= -0.580343 logG= -0.682491 Density= 3.499766 ETOT(band)= -1.766796 trlgG= -2.461731 logG= -0.682491 TDE= -4.587508 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101163 tlogG= -0.588274 logG= -0.689437 Density= 3.497477 ETOT(band)= -1.774309 trlgG= -2.471453 logG= -0.689437 TDE= -4.588449 logGD-logG0= -0.101684 tlogG= -0.582788 logG= -0.684472 Density= 3.498655 ETOT(band)= -1.769500 trlgG= -2.464537 logG= -0.684472 TDE= -4.587442 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101857 tlogG= -0.582433 logG= -0.684290 Density= 3.499230 ETOT(band)= -1.768715 trlgG= -2.463694 logG= -0.684290 TDE= -4.587242 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102170 tlogG= -0.578670 logG= -0.680841 Density= 3.499826 ETOT(band)= -1.765660 trlgG= -2.458653 logG= -0.680841 TDE= -4.586130 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101762 tlogG= -0.582867 logG= -0.684629 Density= 3.499072 ETOT(band)= -1.769179 trlgG= -2.463644 logG= -0.684629 TDE= -4.586727 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101494 tlogG= -0.587129 logG= -0.688623 Density= 3.498286 ETOT(band)= -1.772681 trlgG= -2.471000 logG= -0.688623 TDE= -4.589458 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101616 tlogG= -0.585170 logG= -0.686786 Density= 3.498680 ETOT(band)= -1.771035 trlgG= -2.467355 logG= -0.686786 TDE= -4.587966 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102490 tlogG= -0.575576 logG= -0.678066 Density= 3.500456 ETOT(band)= -1.762989 trlgG= -2.454419 logG= -0.678066 TDE= -4.585176 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 Sum of eigenvalues= -1156.42744089950 eV TrLogG= -1610.69150052909 eV Ratio to renormalize= 1.000388332114 rho-rho_expected=-0.065214470301 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 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= 105 33) Finished k-point number 34 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834681058922710 0.831809637147035 0.835098296597326 0.831722200424567 0.835265617935456 0.831644185700487 0.834931962762107 0.831699346874127 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101569 tlogG= -0.584513 logG= -0.686082 Density= 3.498192 ETOT(band)= -1.770998 trlgG= -2.468200 logG= -0.686082 TDE= -4.589125 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101437 tlogG= -0.585334 logG= -0.686771 Density= 3.498078 ETOT(band)= -1.771709 trlgG= -2.467695 logG= -0.686771 TDE= -4.587840 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101746 tlogG= -0.581580 logG= -0.683326 Density= 3.498702 ETOT(band)= -1.768619 trlgG= -2.462872 logG= -0.683326 TDE= -4.586962 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101295 tlogG= -0.591434 logG= -0.692729 Density= 3.497374 ETOT(band)= -1.776315 trlgG= -2.479640 logG= -0.692729 TDE= -4.593261 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101259 tlogG= -0.589823 logG= -0.691082 Density= 3.497320 ETOT(band)= -1.775320 trlgG= -2.476511 logG= -0.691082 TDE= -4.591737 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102392 tlogG= -0.575573 logG= -0.677965 Density= 3.500065 ETOT(band)= -1.763303 trlgG= -2.454628 logG= -0.677965 TDE= -4.585173 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101655 tlogG= -0.584335 logG= -0.685990 Density= 3.498498 ETOT(band)= -1.770585 trlgG= -2.467726 logG= -0.685990 TDE= -4.588987 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101985 tlogG= -0.578858 logG= -0.680843 Density= 3.499163 ETOT(band)= -1.766356 trlgG= -2.459256 logG= -0.680843 TDE= -4.586198 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101269 tlogG= -0.587394 logG= -0.688663 Density= 3.497420 ETOT(band)= -1.773655 trlgG= -2.472051 logG= -0.688663 TDE= -4.589775 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101269 tlogG= -0.588161 logG= -0.689430 Density= 3.497499 ETOT(band)= -1.774085 trlgG= -2.473148 logG= -0.689430 TDE= -4.590169 logGD-logG0= -0.101036 tlogG= -0.590846 logG= -0.691883 Density= 3.496999 ETOT(band)= -1.776350 trlgG= -2.477018 logG= -0.691883 TDE= -4.591184 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101227 tlogG= -0.587916 logG= -0.689143 Density= 3.497645 ETOT(band)= -1.773807 trlgG= -2.471018 logG= -0.689143 TDE= -4.588443 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101759 tlogG= -0.582430 logG= -0.684190 Density= 3.498837 ETOT(band)= -1.769032 trlgG= -2.463904 logG= -0.684190 TDE= -4.587239 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100951 tlogG= -0.592802 logG= -0.693754 Density= 3.496684 ETOT(band)= -1.777964 trlgG= -2.480951 logG= -0.693754 TDE= -4.592994 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101150 tlogG= -0.588699 logG= -0.689849 Density= 3.497285 ETOT(band)= -1.774690 trlgG= -2.473129 logG= -0.689849 TDE= -4.589558 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101409 tlogG= -0.585704 logG= -0.687113 Density= 3.498239 ETOT(band)= -1.771803 trlgG= -2.466481 logG= -0.687113 TDE= -4.586413 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101165 tlogG= -0.587861 logG= -0.689026 Density= 3.497230 ETOT(band)= -1.774187 trlgG= -2.472113 logG= -0.689026 TDE= -4.589321 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102160 tlogG= -0.578188 logG= -0.680348 Density= 3.499547 ETOT(band)= -1.765526 trlgG= -2.458418 logG= -0.680348 TDE= -4.586163 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101397 tlogG= -0.587126 logG= -0.688523 Density= 3.497896 ETOT(band)= -1.772998 trlgG= -2.471210 logG= -0.688523 TDE= -4.589455 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101312 tlogG= -0.587546 logG= -0.688858 Density= 3.497745 ETOT(band)= -1.773446 trlgG= -2.471254 logG= -0.688858 TDE= -4.589044 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101177 tlogG= -0.586201 logG= -0.687378 Density= 3.497448 ETOT(band)= -1.772936 trlgG= -2.467409 logG= -0.687378 TDE= -4.586440 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101867 tlogG= -0.581963 logG= -0.683831 Density= 3.499060 ETOT(band)= -1.768497 trlgG= -2.463790 logG= -0.683831 TDE= -4.587662 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101318 tlogG= -0.585552 logG= -0.686870 Density= 3.497617 ETOT(band)= -1.772279 trlgG= -2.468691 logG= -0.686870 TDE= -4.588367 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101337 tlogG= -0.585554 logG= -0.686892 Density= 3.497734 ETOT(band)= -1.772200 trlgG= -2.468129 logG= -0.686892 TDE= -4.587875 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100969 tlogG= -0.590996 logG= -0.691965 Density= 3.496774 ETOT(band)= -1.776696 trlgG= -2.477284 logG= -0.691965 TDE= -4.591188 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102862 tlogG= -0.573843 logG= -0.676705 Density= 3.501192 ETOT(band)= -1.761067 trlgG= -2.452226 logG= -0.676705 TDE= -4.584935 logGD-logG0= -0.101489 tlogG= -0.583252 logG= -0.684740 Density= 3.498087 ETOT(band)= -1.770336 trlgG= -2.464666 logG= -0.684740 TDE= -4.586848 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101455 tlogG= -0.585459 logG= -0.686914 Density= 3.498235 ETOT(band)= -1.771621 trlgG= -2.467230 logG= -0.686914 TDE= -4.587358 logGD-logG0= -0.102436 tlogG= -0.577284 logG= -0.679720 Density= 3.500267 ETOT(band)= -1.764249 trlgG= -2.457290 logG= -0.679720 TDE= -4.586241 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102343 tlogG= -0.577455 logG= -0.679798 Density= 3.499983 ETOT(band)= -1.764599 trlgG= -2.457649 logG= -0.679798 TDE= -4.586295 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102051 tlogG= -0.580340 logG= -0.682391 Density= 3.499375 ETOT(band)= -1.767112 trlgG= -2.461941 logG= -0.682391 TDE= -4.587505 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101067 tlogG= -0.588272 logG= -0.689338 Density= 3.497088 ETOT(band)= -1.774625 trlgG= -2.471663 logG= -0.689338 TDE= -4.588446 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101664 tlogG= -0.582864 logG= -0.684529 Density= 3.498680 ETOT(band)= -1.769497 trlgG= -2.463855 logG= -0.684529 TDE= -4.586724 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102072 tlogG= -0.578668 logG= -0.680740 Density= 3.499435 ETOT(band)= -1.765976 trlgG= -2.458863 logG= -0.680740 TDE= -4.586127 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101531 tlogG= -0.584846 logG= -0.686377 Density= 3.498244 ETOT(band)= -1.771177 trlgG= -2.467859 logG= -0.686377 TDE= -4.588530 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101405 tlogG= -0.587586 logG= -0.688992 Density= 3.497783 ETOT(band)= -1.773406 trlgG= -2.472849 logG= -0.688992 TDE= -4.590536 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101438 tlogG= -0.585048 logG= -0.686487 Density= 3.497920 ETOT(band)= -1.771633 trlgG= -2.468368 logG= -0.686487 TDE= -4.588669 logGD-logG0= -0.101518 tlogG= -0.585168 logG= -0.686686 Density= 3.498288 ETOT(band)= -1.771352 trlgG= -2.467565 logG= -0.686686 TDE= -4.587963 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101310 tlogG= -0.589715 logG= -0.691025 Density= 3.497513 ETOT(band)= -1.775048 trlgG= -2.476164 logG= -0.691025 TDE= -4.591601 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101895 tlogG= -0.580988 logG= -0.682883 Density= 3.499009 ETOT(band)= -1.767911 trlgG= -2.462373 logG= -0.682883 TDE= -4.587153 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101107 tlogG= -0.590433 logG= -0.691541 Density= 3.497007 ETOT(band)= -1.776054 trlgG= -2.476947 logG= -0.691541 TDE= -4.591462 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102623 tlogG= -0.574729 logG= -0.677352 Density= 3.500603 ETOT(band)= -1.762223 trlgG= -2.453343 logG= -0.677352 TDE= -4.584931 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101586 tlogG= -0.582786 logG= -0.684372 Density= 3.498265 ETOT(band)= -1.769815 trlgG= -2.464747 logG= -0.684372 TDE= -4.587439 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101702 tlogG= -0.582281 logG= -0.683982 Density= 3.498506 ETOT(band)= -1.769217 trlgG= -2.464610 logG= -0.683982 TDE= -4.587886 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101166 tlogG= -0.590304 logG= -0.691470 Density= 3.497217 ETOT(band)= -1.775744 trlgG= -2.476612 logG= -0.691470 TDE= -4.591366 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101107 tlogG= -0.592137 logG= -0.693244 Density= 3.496975 ETOT(band)= -1.777182 trlgG= -2.480240 logG= -0.693244 TDE= -4.593026 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101242 tlogG= -0.585903 logG= -0.687145 Density= 3.497497 ETOT(band)= -1.772654 trlgG= -2.468451 logG= -0.687145 TDE= -4.587755 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102251 tlogG= -0.578009 logG= -0.680259 Density= 3.499825 ETOT(band)= -1.765162 trlgG= -2.458022 logG= -0.680259 TDE= -4.586079 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1156.63369218038 eV TrLogG= -1610.62401068460 eV Ratio to renormalize= 1.000499998041 rho-rho_expected=-0.083957692142 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834693333441908 0.831822039823450 0.835110503962199 0.831734651187885 0.835277757496758 0.831656666004927 0.834944223503360 0.831711780889465 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101325 tlogG= -0.585544 logG= -0.686869 Density= 3.497634 ETOT(band)= -1.772289 trlgG= -2.468703 logG= -0.686869 TDE= -4.588392 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100958 tlogG= -0.592795 logG= -0.693753 Density= 3.496700 ETOT(band)= -1.777974 trlgG= -2.480961 logG= -0.693753 TDE= -4.593017 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101043 tlogG= -0.590839 logG= -0.691882 Density= 3.497015 ETOT(band)= -1.776361 trlgG= -2.477028 logG= -0.691882 TDE= -4.591208 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101265 tlogG= -0.589815 logG= -0.691081 Density= 3.497337 ETOT(band)= -1.775330 trlgG= -2.476519 logG= -0.691081 TDE= -4.591759 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101444 tlogG= -0.585327 logG= -0.686770 Density= 3.498095 ETOT(band)= -1.771719 trlgG= -2.467707 logG= -0.686770 TDE= -4.587866 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101495 tlogG= -0.583244 logG= -0.684740 Density= 3.498103 ETOT(band)= -1.770347 trlgG= -2.464679 logG= -0.684740 TDE= -4.586874 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101445 tlogG= -0.585041 logG= -0.686486 Density= 3.497936 ETOT(band)= -1.771643 trlgG= -2.468379 logG= -0.686486 TDE= -4.588695 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101302 tlogG= -0.591426 logG= -0.692728 Density= 3.497391 ETOT(band)= -1.776324 trlgG= -2.479646 logG= -0.692728 TDE= -4.593282 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101157 tlogG= -0.588692 logG= -0.689849 Density= 3.497301 ETOT(band)= -1.774700 trlgG= -2.473141 logG= -0.689849 TDE= -4.589583 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101753 tlogG= -0.581573 logG= -0.683325 Density= 3.498718 ETOT(band)= -1.768629 trlgG= -2.462885 logG= -0.683325 TDE= -4.586988 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101172 tlogG= -0.587853 logG= -0.689025 Density= 3.497246 ETOT(band)= -1.774197 trlgG= -2.472124 logG= -0.689025 TDE= -4.589346 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101276 tlogG= -0.587386 logG= -0.688662 Density= 3.497436 ETOT(band)= -1.773665 trlgG= -2.472062 logG= -0.688662 TDE= -4.589800 logGD-logG0= -0.101708 tlogG= -0.582273 logG= -0.683981 Density= 3.498522 ETOT(band)= -1.769227 trlgG= -2.464621 logG= -0.683981 TDE= -4.587911 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101992 tlogG= -0.578850 logG= -0.680842 Density= 3.499179 ETOT(band)= -1.766366 trlgG= -2.459268 logG= -0.680842 TDE= -4.586225 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101114 tlogG= -0.590426 logG= -0.691540 Density= 3.497024 ETOT(band)= -1.776064 trlgG= -2.476956 logG= -0.691540 TDE= -4.591485 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101183 tlogG= -0.586194 logG= -0.687377 Density= 3.497464 ETOT(band)= -1.772947 trlgG= -2.467421 logG= -0.687377 TDE= -4.586466 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101233 tlogG= -0.587909 logG= -0.689143 Density= 3.497661 ETOT(band)= -1.773817 trlgG= -2.471029 logG= -0.689143 TDE= -4.588467 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101538 tlogG= -0.584839 logG= -0.686377 Density= 3.498260 ETOT(band)= -1.771187 trlgG= -2.467871 logG= -0.686377 TDE= -4.588556 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100975 tlogG= -0.590989 logG= -0.691964 Density= 3.496790 ETOT(band)= -1.776707 trlgG= -2.477294 logG= -0.691964 TDE= -4.591212 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102167 tlogG= -0.578180 logG= -0.680348 Density= 3.499563 ETOT(band)= -1.765537 trlgG= -2.458428 logG= -0.680348 TDE= -4.586187 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101319 tlogG= -0.587539 logG= -0.688857 Density= 3.497762 ETOT(band)= -1.773456 trlgG= -2.471265 logG= -0.688857 TDE= -4.589069 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101403 tlogG= -0.587119 logG= -0.688522 Density= 3.497912 ETOT(band)= -1.773008 trlgG= -2.471220 logG= -0.688522 TDE= -4.589480 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101416 tlogG= -0.585697 logG= -0.687113 Density= 3.498255 ETOT(band)= -1.771813 trlgG= -2.466494 logG= -0.687113 TDE= -4.586439 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101766 tlogG= -0.582423 logG= -0.684189 Density= 3.498854 ETOT(band)= -1.769042 trlgG= -2.463916 logG= -0.684189 TDE= -4.587264 logGD-logG0= -0.102869 tlogG= -0.573835 logG= -0.676704 Density= 3.501209 ETOT(band)= -1.761077 trlgG= -2.452236 logG= -0.676704 TDE= -4.584959 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101412 tlogG= -0.587579 logG= -0.688991 Density= 3.497800 ETOT(band)= -1.773416 trlgG= -2.472860 logG= -0.688991 TDE= -4.590561 logGD-logG0= -0.101344 tlogG= -0.585547 logG= -0.686891 Density= 3.497750 ETOT(band)= -1.772211 trlgG= -2.468141 logG= -0.686891 TDE= -4.587901 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101662 tlogG= -0.584328 logG= -0.685990 Density= 3.498515 ETOT(band)= -1.770596 trlgG= -2.467737 logG= -0.685990 TDE= -4.589013 logGD-logG0= -0.102079 tlogG= -0.578660 logG= -0.680739 Density= 3.499451 ETOT(band)= -1.765987 trlgG= -2.458876 logG= -0.680739 TDE= -4.586154 logGD-logG0= -0.102442 tlogG= -0.577277 logG= -0.679719 Density= 3.500284 ETOT(band)= -1.764259 trlgG= -2.457300 logG= -0.679719 TDE= -4.586266 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102057 tlogG= -0.580333 logG= -0.682390 Density= 3.499391 ETOT(band)= -1.767122 trlgG= -2.461952 logG= -0.682390 TDE= -4.587530 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101593 tlogG= -0.582778 logG= -0.684372 Density= 3.498281 ETOT(band)= -1.769825 trlgG= -2.464758 logG= -0.684372 TDE= -4.587464 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101173 tlogG= -0.590297 logG= -0.691469 Density= 3.497233 ETOT(band)= -1.775754 trlgG= -2.476621 logG= -0.691469 TDE= -4.591389 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102257 tlogG= -0.578001 logG= -0.680258 Density= 3.499841 ETOT(band)= -1.765173 trlgG= -2.458032 logG= -0.680258 TDE= -4.586103 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102399 tlogG= -0.575566 logG= -0.677964 Density= 3.500082 ETOT(band)= -1.763314 trlgG= -2.454641 logG= -0.677964 TDE= -4.585200 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101276 tlogG= -0.588153 logG= -0.689429 Density= 3.497516 ETOT(band)= -1.774095 trlgG= -2.473160 logG= -0.689429 TDE= -4.590194 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101317 tlogG= -0.589707 logG= -0.691024 Density= 3.497529 ETOT(band)= -1.775058 trlgG= -2.476172 logG= -0.691024 TDE= -4.591623 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101671 tlogG= -0.582857 logG= -0.684528 Density= 3.498696 ETOT(band)= -1.769507 trlgG= -2.463868 logG= -0.684528 TDE= -4.586751 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101902 tlogG= -0.580981 logG= -0.682882 Density= 3.499026 ETOT(band)= -1.767921 trlgG= -2.462384 logG= -0.682882 TDE= -4.587177 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101114 tlogG= -0.592129 logG= -0.693243 Density= 3.496992 ETOT(band)= -1.777192 trlgG= -2.480249 logG= -0.693243 TDE= -4.593049 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101249 tlogG= -0.585896 logG= -0.687144 Density= 3.497513 ETOT(band)= -1.772664 trlgG= -2.468463 logG= -0.687144 TDE= -4.587780 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102630 tlogG= -0.574721 logG= -0.677351 Density= 3.500619 ETOT(band)= -1.762233 trlgG= -2.453353 logG= -0.677351 TDE= -4.584956 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101461 tlogG= -0.585452 logG= -0.686914 Density= 3.498251 ETOT(band)= -1.771631 trlgG= -2.467243 logG= -0.686914 TDE= -4.587384 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102350 tlogG= -0.577447 logG= -0.679797 Density= 3.500000 ETOT(band)= -1.764609 trlgG= -2.457659 logG= -0.679797 TDE= -4.586319 logGD-logG0= -0.101073 tlogG= -0.588264 logG= -0.689338 Density= 3.497104 ETOT(band)= -1.774636 trlgG= -2.471674 logG= -0.689338 TDE= -4.588470 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101525 tlogG= -0.585160 logG= -0.686685 Density= 3.498304 ETOT(band)= -1.771363 trlgG= -2.467578 logG= -0.686685 TDE= -4.587989 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101874 tlogG= -0.581956 logG= -0.683830 Density= 3.499076 ETOT(band)= -1.768508 trlgG= -2.463802 logG= -0.683830 TDE= -4.587688 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101576 tlogG= -0.584505 logG= -0.686081 Density= 3.498209 ETOT(band)= -1.771008 trlgG= -2.468211 logG= -0.686081 TDE= -4.589150 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 Sum of eigenvalues= -1156.64043685973 eV TrLogG= -1610.63973462109 eV Ratio to renormalize= 1.000495320311 rho-rho_expected=-0.083172615167 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 7) Finished k-point number 8 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834698006415773 0.831826784090199 0.835115155149473 0.831739411037407 0.835282377841521 0.831661440281862 0.834948893729066 0.831716535192638 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101046 tlogG= -0.590836 logG= -0.691881 Density= 3.497021 ETOT(band)= -1.776365 trlgG= -2.477031 logG= -0.691881 TDE= -4.591217 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.102170 tlogG= -0.578177 logG= -0.680347 Density= 3.499570 ETOT(band)= -1.765541 trlgG= -2.458432 logG= -0.680347 TDE= -4.586197 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101347 tlogG= -0.585544 logG= -0.686891 Density= 3.497756 ETOT(band)= -1.772215 trlgG= -2.468145 logG= -0.686891 TDE= -4.587911 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100961 tlogG= -0.592791 logG= -0.693752 Density= 3.496706 ETOT(band)= -1.777978 trlgG= -2.480964 logG= -0.693752 TDE= -4.593026 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101904 tlogG= -0.580977 logG= -0.682882 Density= 3.499032 ETOT(band)= -1.767925 trlgG= -2.462388 logG= -0.682882 TDE= -4.587187 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101186 tlogG= -0.586191 logG= -0.687376 Density= 3.497470 ETOT(band)= -1.772951 trlgG= -2.467425 logG= -0.687376 TDE= -4.586475 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101268 tlogG= -0.589812 logG= -0.691080 Density= 3.497343 ETOT(band)= -1.775334 trlgG= -2.476522 logG= -0.691080 TDE= -4.591767 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101304 tlogG= -0.591423 logG= -0.692727 Density= 3.497397 ETOT(band)= -1.776328 trlgG= -2.479649 logG= -0.692727 TDE= -4.593290 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101278 tlogG= -0.587383 logG= -0.688661 Density= 3.497442 ETOT(band)= -1.773670 trlgG= -2.472066 logG= -0.688661 TDE= -4.589810 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101328 tlogG= -0.585541 logG= -0.686869 Density= 3.497640 ETOT(band)= -1.772294 trlgG= -2.468707 logG= -0.686869 TDE= -4.588402 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101711 tlogG= -0.582270 logG= -0.683981 Density= 3.498528 ETOT(band)= -1.769231 trlgG= -2.464625 logG= -0.683981 TDE= -4.587921 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101236 tlogG= -0.587906 logG= -0.689142 Density= 3.497667 ETOT(band)= -1.773822 trlgG= -2.471033 logG= -0.689142 TDE= -4.588476 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101160 tlogG= -0.588689 logG= -0.689848 Density= 3.497307 ETOT(band)= -1.774705 trlgG= -2.473145 logG= -0.689848 TDE= -4.589593 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102352 tlogG= -0.577444 logG= -0.679796 Density= 3.500006 ETOT(band)= -1.764613 trlgG= -2.457662 logG= -0.679796 TDE= -4.586328 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102445 tlogG= -0.577274 logG= -0.679719 Density= 3.500290 ETOT(band)= -1.764263 trlgG= -2.457304 logG= -0.679719 TDE= -4.586275 logGD-logG0= -0.101446 tlogG= -0.585323 logG= -0.686770 Density= 3.498101 ETOT(band)= -1.771723 trlgG= -2.467712 logG= -0.686770 TDE= -4.587876 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101674 tlogG= -0.582854 logG= -0.684528 Density= 3.498702 ETOT(band)= -1.769512 trlgG= -2.463873 logG= -0.684528 TDE= -4.586761 logGD-logG0= -0.101278 tlogG= -0.588150 logG= -0.689428 Density= 3.497522 ETOT(band)= -1.774100 trlgG= -2.473164 logG= -0.689428 TDE= -4.590204 logGD-logG0= -0.101321 tlogG= -0.587536 logG= -0.688857 Density= 3.497768 ETOT(band)= -1.773460 trlgG= -2.471270 logG= -0.688857 TDE= -4.589079 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101419 tlogG= -0.585694 logG= -0.687112 Density= 3.498261 ETOT(band)= -1.771817 trlgG= -2.466499 logG= -0.687112 TDE= -4.586449 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101447 tlogG= -0.585038 logG= -0.686485 Density= 3.497942 ETOT(band)= -1.771648 trlgG= -2.468383 logG= -0.686485 TDE= -4.588704 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102060 tlogG= -0.580329 logG= -0.682389 Density= 3.499397 ETOT(band)= -1.767126 trlgG= -2.461956 logG= -0.682389 TDE= -4.587540 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101174 tlogG= -0.587850 logG= -0.689025 Density= 3.497252 ETOT(band)= -1.774201 trlgG= -2.472128 logG= -0.689025 TDE= -4.589356 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101664 tlogG= -0.584325 logG= -0.685989 Density= 3.498521 ETOT(band)= -1.770600 trlgG= -2.467741 logG= -0.685989 TDE= -4.589022 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101319 tlogG= -0.589704 logG= -0.691023 Density= 3.497535 ETOT(band)= -1.775062 trlgG= -2.476175 logG= -0.691023 TDE= -4.591632 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101769 tlogG= -0.582420 logG= -0.684189 Density= 3.498860 ETOT(band)= -1.769046 trlgG= -2.463920 logG= -0.684189 TDE= -4.587274 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101541 tlogG= -0.584836 logG= -0.686376 Density= 3.498266 ETOT(band)= -1.771191 trlgG= -2.467875 logG= -0.686376 TDE= -4.588565 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101415 tlogG= -0.587575 logG= -0.688990 Density= 3.497806 ETOT(band)= -1.773420 trlgG= -2.472864 logG= -0.688990 TDE= -4.590571 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102401 tlogG= -0.575562 logG= -0.677964 Density= 3.500088 ETOT(band)= -1.763318 trlgG= -2.454646 logG= -0.677964 TDE= -4.585210 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.100978 tlogG= -0.590985 logG= -0.691963 Density= 3.496796 ETOT(band)= -1.776711 trlgG= -2.477298 logG= -0.691963 TDE= -4.591221 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101498 tlogG= -0.583241 logG= -0.684739 Density= 3.498109 ETOT(band)= -1.770351 trlgG= -2.464684 logG= -0.684739 TDE= -4.586884 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101116 tlogG= -0.592126 logG= -0.693242 Density= 3.496998 ETOT(band)= -1.777196 trlgG= -2.480252 logG= -0.693242 TDE= -4.593057 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101076 tlogG= -0.588261 logG= -0.689337 Density= 3.497110 ETOT(band)= -1.774640 trlgG= -2.471678 logG= -0.689337 TDE= -4.588480 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101596 tlogG= -0.582775 logG= -0.684371 Density= 3.498287 ETOT(band)= -1.769829 trlgG= -2.464762 logG= -0.684371 TDE= -4.587474 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101464 tlogG= -0.585449 logG= -0.686913 Density= 3.498258 ETOT(band)= -1.771635 trlgG= -2.467248 logG= -0.686913 TDE= -4.587394 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101117 tlogG= -0.590423 logG= -0.691540 Density= 3.497030 ETOT(band)= -1.776068 trlgG= -2.476959 logG= -0.691540 TDE= -4.591494 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101579 tlogG= -0.584502 logG= -0.686081 Density= 3.498215 ETOT(band)= -1.771012 trlgG= -2.468215 logG= -0.686081 TDE= -4.589160 logGD-logG0= -0.101251 tlogG= -0.585893 logG= -0.687144 Density= 3.497519 ETOT(band)= -1.772668 trlgG= -2.468467 logG= -0.687144 TDE= -4.587790 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101755 tlogG= -0.581570 logG= -0.683325 Density= 3.498725 ETOT(band)= -1.768633 trlgG= -2.462890 logG= -0.683325 TDE= -4.586998 logGD-logG0= -0.101406 tlogG= -0.587116 logG= -0.688522 Density= 3.497918 ETOT(band)= -1.773012 trlgG= -2.471224 logG= -0.688522 TDE= -4.589489 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101994 tlogG= -0.578847 logG= -0.680842 Density= 3.499185 ETOT(band)= -1.766370 trlgG= -2.459273 logG= -0.680842 TDE= -4.586235 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102260 tlogG= -0.577998 logG= -0.680258 Density= 3.499847 ETOT(band)= -1.765177 trlgG= -2.458036 logG= -0.680258 TDE= -4.586112 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102081 tlogG= -0.578657 logG= -0.680739 Density= 3.499457 ETOT(band)= -1.765991 trlgG= -2.458881 logG= -0.680739 TDE= -4.586164 logGD-logG0= -0.102633 tlogG= -0.574718 logG= -0.677351 Density= 3.500625 ETOT(band)= -1.762237 trlgG= -2.453357 logG= -0.677351 TDE= -4.584966 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101176 tlogG= -0.590293 logG= -0.691469 Density= 3.497239 ETOT(band)= -1.775758 trlgG= -2.476625 logG= -0.691469 TDE= -4.591398 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101877 tlogG= -0.581953 logG= -0.683830 Density= 3.499082 ETOT(band)= -1.768512 trlgG= -2.463806 logG= -0.683830 TDE= -4.587697 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102871 tlogG= -0.573832 logG= -0.676703 Density= 3.501215 ETOT(band)= -1.761081 trlgG= -2.452240 logG= -0.676703 TDE= -4.584968 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101527 tlogG= -0.585157 logG= -0.686684 Density= 3.498310 ETOT(band)= -1.771367 trlgG= -2.467582 logG= -0.686684 TDE= -4.587999 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 Sum of eigenvalues= -1156.64310651123 eV TrLogG= -1610.64559886916 eV Ratio to renormalize= 1.000493548411 rho-rho_expected=-0.082875230078 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 17) Finished k-point number 18 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 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= 105 26) Finished k-point number 27 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 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= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834695146038198 0.831823849931998 0.835112307232660 0.831736467322441 0.835279546857205 0.831658486954273 0.834946035014718 0.831713592409030 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101496 tlogG= -0.583245 logG= -0.684741 Density= 3.498105 ETOT(band)= -1.770350 trlgG= -2.464684 logG= -0.684741 TDE= -4.586880 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101404 tlogG= -0.587119 logG= -0.688524 Density= 3.497914 ETOT(band)= -1.773011 trlgG= -2.471225 logG= -0.688524 TDE= -4.589485 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101234 tlogG= -0.587910 logG= -0.689144 Density= 3.497664 ETOT(band)= -1.773821 trlgG= -2.471033 logG= -0.689144 TDE= -4.588472 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101158 tlogG= -0.588692 logG= -0.689850 Density= 3.497303 ETOT(band)= -1.774703 trlgG= -2.473145 logG= -0.689850 TDE= -4.589588 logGD-logG0= -0.101903 tlogG= -0.580981 logG= -0.682884 Density= 3.499028 ETOT(band)= -1.767924 trlgG= -2.462389 logG= -0.682884 TDE= -4.587183 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101044 tlogG= -0.590839 logG= -0.691883 Density= 3.497017 ETOT(band)= -1.776364 trlgG= -2.477032 logG= -0.691883 TDE= -4.591213 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101277 tlogG= -0.587386 logG= -0.688663 Density= 3.497438 ETOT(band)= -1.773668 trlgG= -2.472067 logG= -0.688663 TDE= -4.589805 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101993 tlogG= -0.578851 logG= -0.680843 Density= 3.499181 ETOT(band)= -1.766369 trlgG= -2.459273 logG= -0.680843 TDE= -4.586230 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.100959 tlogG= -0.592795 logG= -0.693754 Density= 3.496702 ETOT(band)= -1.777977 trlgG= -2.480965 logG= -0.693754 TDE= -4.593022 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101115 tlogG= -0.590426 logG= -0.691541 Density= 3.497026 ETOT(band)= -1.776067 trlgG= -2.476960 logG= -0.691541 TDE= -4.591490 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101184 tlogG= -0.586194 logG= -0.687378 Density= 3.497466 ETOT(band)= -1.772950 trlgG= -2.467425 logG= -0.687378 TDE= -4.586471 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101174 tlogG= -0.590297 logG= -0.691471 Density= 3.497236 ETOT(band)= -1.775757 trlgG= -2.476626 logG= -0.691471 TDE= -4.591394 logGD-logG0= -0.101539 tlogG= -0.584839 logG= -0.686378 Density= 3.498263 ETOT(band)= -1.771190 trlgG= -2.467876 logG= -0.686378 TDE= -4.588561 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100976 tlogG= -0.590989 logG= -0.691965 Density= 3.496792 ETOT(band)= -1.776710 trlgG= -2.477298 logG= -0.691965 TDE= -4.591217 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101303 tlogG= -0.591426 logG= -0.692729 Density= 3.497393 ETOT(band)= -1.776327 trlgG= -2.479650 logG= -0.692729 TDE= -4.593287 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101345 tlogG= -0.585547 logG= -0.686893 Density= 3.497752 ETOT(band)= -1.772214 trlgG= -2.468145 logG= -0.686893 TDE= -4.587907 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102400 tlogG= -0.575566 logG= -0.677965 Density= 3.500084 ETOT(band)= -1.763317 trlgG= -2.454646 logG= -0.677965 TDE= -4.585205 logGD-logG0= -0.101446 tlogG= -0.585041 logG= -0.686487 Density= 3.497939 ETOT(band)= -1.771646 trlgG= -2.468384 logG= -0.686487 TDE= -4.588700 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102168 tlogG= -0.578181 logG= -0.680349 Density= 3.499566 ETOT(band)= -1.765540 trlgG= -2.458432 logG= -0.680349 TDE= -4.586192 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101594 tlogG= -0.582779 logG= -0.684373 Density= 3.498283 ETOT(band)= -1.769828 trlgG= -2.464762 logG= -0.684373 TDE= -4.587469 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102631 tlogG= -0.574721 logG= -0.677353 Density= 3.500622 ETOT(band)= -1.762236 trlgG= -2.453358 logG= -0.677353 TDE= -4.584961 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102870 tlogG= -0.573836 logG= -0.676705 Density= 3.501211 ETOT(band)= -1.761080 trlgG= -2.452240 logG= -0.676705 TDE= -4.584964 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101875 tlogG= -0.581956 logG= -0.683831 Density= 3.499079 ETOT(band)= -1.768511 trlgG= -2.463806 logG= -0.683831 TDE= -4.587693 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101320 tlogG= -0.587539 logG= -0.688859 Density= 3.497764 ETOT(band)= -1.773459 trlgG= -2.471270 logG= -0.688859 TDE= -4.589074 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101445 tlogG= -0.585327 logG= -0.686772 Density= 3.498097 ETOT(band)= -1.771722 trlgG= -2.467712 logG= -0.686772 TDE= -4.587871 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101250 tlogG= -0.585896 logG= -0.687146 Density= 3.497515 ETOT(band)= -1.772667 trlgG= -2.468468 logG= -0.687146 TDE= -4.587785 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102444 tlogG= -0.577277 logG= -0.679721 Density= 3.500286 ETOT(band)= -1.764262 trlgG= -2.457304 logG= -0.679721 TDE= -4.586271 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101318 tlogG= -0.589707 logG= -0.691025 Density= 3.497532 ETOT(band)= -1.775061 trlgG= -2.476176 logG= -0.691025 TDE= -4.591628 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101277 tlogG= -0.588154 logG= -0.689430 Density= 3.497518 ETOT(band)= -1.774098 trlgG= -2.473164 logG= -0.689430 TDE= -4.590199 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101577 tlogG= -0.584505 logG= -0.686082 Density= 3.498211 ETOT(band)= -1.771011 trlgG= -2.468216 logG= -0.686082 TDE= -4.589155 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101074 tlogG= -0.588265 logG= -0.689339 Density= 3.497107 ETOT(band)= -1.774639 trlgG= -2.471679 logG= -0.689339 TDE= -4.588475 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101754 tlogG= -0.581573 logG= -0.683327 Density= 3.498721 ETOT(band)= -1.768632 trlgG= -2.462890 logG= -0.683327 TDE= -4.586994 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101672 tlogG= -0.582857 logG= -0.684530 Density= 3.498698 ETOT(band)= -1.769511 trlgG= -2.463873 logG= -0.684530 TDE= -4.586756 logGD-logG0= -0.101267 tlogG= -0.589815 logG= -0.691082 Density= 3.497339 ETOT(band)= -1.775333 trlgG= -2.476523 logG= -0.691082 TDE= -4.591763 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101326 tlogG= -0.585545 logG= -0.686871 Density= 3.497636 ETOT(band)= -1.772292 trlgG= -2.468707 logG= -0.686871 TDE= -4.588397 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101663 tlogG= -0.584328 logG= -0.685991 Density= 3.498517 ETOT(band)= -1.770599 trlgG= -2.467741 logG= -0.685991 TDE= -4.589018 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101417 tlogG= -0.585697 logG= -0.687114 Density= 3.498257 ETOT(band)= -1.771816 trlgG= -2.466499 logG= -0.687114 TDE= -4.586444 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101173 tlogG= -0.587854 logG= -0.689026 Density= 3.497249 ETOT(band)= -1.774200 trlgG= -2.472128 logG= -0.689026 TDE= -4.589352 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101526 tlogG= -0.585161 logG= -0.686686 Density= 3.498306 ETOT(band)= -1.771366 trlgG= -2.467582 logG= -0.686686 TDE= -4.587994 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101115 tlogG= -0.592129 logG= -0.693244 Density= 3.496994 ETOT(band)= -1.777195 trlgG= -2.480253 logG= -0.693244 TDE= -4.593053 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101413 tlogG= -0.587579 logG= -0.688992 Density= 3.497802 ETOT(band)= -1.773419 trlgG= -2.472865 logG= -0.688992 TDE= -4.590566 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102080 tlogG= -0.578661 logG= -0.680741 logGD-logG0= -0.101709 tlogG= -0.582273 logG= -0.683983 Density= 3.499454 ETOT(band)= -1.765990 trlgG= -2.458881 logG= -0.680741 TDE= -4.586159 Density= 3.498525 ETOT(band)= -1.769230 trlgG= -2.464626 logG= -0.683983 TDE= -4.587917 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102351 tlogG= -0.577447 logG= -0.679798 Density= 3.500002 ETOT(band)= -1.764612 trlgG= -2.457663 logG= -0.679798 TDE= -4.586324 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101767 tlogG= -0.582423 logG= -0.684191 Density= 3.498856 ETOT(band)= -1.769045 trlgG= -2.463921 logG= -0.684191 TDE= -4.587269 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102258 tlogG= -0.578001 logG= -0.680260 Density= 3.499844 ETOT(band)= -1.765176 trlgG= -2.458036 logG= -0.680260 TDE= -4.586108 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101462 tlogG= -0.585453 logG= -0.686915 Density= 3.498254 ETOT(band)= -1.771634 trlgG= -2.467248 logG= -0.686915 TDE= -4.587389 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102058 tlogG= -0.580333 logG= -0.682391 Density= 3.499394 ETOT(band)= -1.767125 trlgG= -2.461956 logG= -0.682391 TDE= -4.587535 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 Sum of eigenvalues= -1156.64238789083 eV TrLogG= -1610.64393989643 eV Ratio to renormalize= 1.000494618434 rho-rho_expected=-0.083054816415 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 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 28) Finished k-point number 29 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834693055977344 0.831821758520391 0.835110227518977 0.831734368645916 0.835277483017247 0.831656382566483 0.834943945636099 0.831711498819448 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101344 tlogG= -0.585548 logG= -0.686891 Density= 3.497750 ETOT(band)= -1.772211 trlgG= -2.468141 logG= -0.686891 TDE= -4.587901 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101318 tlogG= -0.587539 logG= -0.688858 Density= 3.497761 ETOT(band)= -1.773457 trlgG= -2.471266 logG= -0.688858 TDE= -4.589069 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101901 tlogG= -0.580981 logG= -0.682882 Density= 3.499025 ETOT(band)= -1.767922 trlgG= -2.462385 logG= -0.682882 TDE= -4.587177 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101443 tlogG= -0.585327 logG= -0.686770 Density= 3.498094 ETOT(band)= -1.771719 trlgG= -2.467708 logG= -0.686770 TDE= -4.587866 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100958 tlogG= -0.592795 logG= -0.693753 Density= 3.496700 ETOT(band)= -1.777975 trlgG= -2.480961 logG= -0.693753 TDE= -4.593017 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102057 tlogG= -0.580333 logG= -0.682390 Density= 3.499391 ETOT(band)= -1.767122 trlgG= -2.461952 logG= -0.682390 TDE= -4.587530 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101043 tlogG= -0.590839 logG= -0.691882 Density= 3.497014 ETOT(band)= -1.776361 trlgG= -2.477028 logG= -0.691882 TDE= -4.591208 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101874 tlogG= -0.581956 logG= -0.683830 Density= 3.499076 ETOT(band)= -1.768508 trlgG= -2.463802 logG= -0.683830 TDE= -4.587688 logGD-logG0= -0.102167 tlogG= -0.578181 logG= -0.680348 Density= 3.499563 ETOT(band)= -1.765537 trlgG= -2.458429 logG= -0.680348 TDE= -4.586187 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101495 tlogG= -0.583245 logG= -0.684740 Density= 3.498103 ETOT(band)= -1.770347 trlgG= -2.464679 logG= -0.684740 TDE= -4.586874 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101265 tlogG= -0.589816 logG= -0.691081 Density= 3.497336 ETOT(band)= -1.775331 trlgG= -2.476520 logG= -0.691081 TDE= -4.591759 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101445 tlogG= -0.585041 logG= -0.686486 Density= 3.497936 ETOT(band)= -1.771644 trlgG= -2.468380 logG= -0.686486 TDE= -4.588695 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101173 tlogG= -0.590297 logG= -0.691470 Density= 3.497233 ETOT(band)= -1.775754 trlgG= -2.476622 logG= -0.691470 TDE= -4.591389 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101752 tlogG= -0.581573 logG= -0.683326 Density= 3.498718 ETOT(band)= -1.768630 trlgG= -2.462885 logG= -0.683326 TDE= -4.586988 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101461 tlogG= -0.585453 logG= -0.686914 Density= 3.498251 ETOT(band)= -1.771632 trlgG= -2.467244 logG= -0.686914 TDE= -4.587384 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101538 tlogG= -0.584839 logG= -0.686377 Density= 3.498260 ETOT(band)= -1.771187 trlgG= -2.467872 logG= -0.686377 TDE= -4.588555 logGD-logG0= -0.101183 tlogG= -0.586194 logG= -0.687377 Density= 3.497463 ETOT(band)= -1.772947 trlgG= -2.467421 logG= -0.687377 TDE= -4.586466 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101301 tlogG= -0.591427 logG= -0.692728 Density= 3.497390 ETOT(band)= -1.776325 trlgG= -2.479647 logG= -0.692728 TDE= -4.593282 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101325 tlogG= -0.585545 logG= -0.686870 Density= 3.497633 ETOT(band)= -1.772290 trlgG= -2.468703 logG= -0.686870 TDE= -4.588392 logGD-logG0= -0.101316 tlogG= -0.589708 logG= -0.691024 Density= 3.497529 ETOT(band)= -1.775058 trlgG= -2.476173 logG= -0.691024 TDE= -4.591623 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101157 tlogG= -0.588692 logG= -0.689849 Density= 3.497301 ETOT(band)= -1.774701 trlgG= -2.473141 logG= -0.689849 TDE= -4.589583 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101114 tlogG= -0.590426 logG= -0.691540 Density= 3.497023 ETOT(band)= -1.776064 trlgG= -2.476957 logG= -0.691540 TDE= -4.591485 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101766 tlogG= -0.582423 logG= -0.684189 Density= 3.498853 ETOT(band)= -1.769043 trlgG= -2.463916 logG= -0.684189 TDE= -4.587264 logGD-logG0= -0.101576 tlogG= -0.584505 logG= -0.686081 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Density= 3.498208 ETOT(band)= -1.771008 trlgG= -2.468212 logG= -0.686081 TDE= -4.589150 logGD-logG0= -0.101671 tlogG= -0.582857 logG= -0.684528 Density= 3.498696 ETOT(band)= -1.769508 trlgG= -2.463869 logG= -0.684528 TDE= -4.586751 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102398 tlogG= -0.575566 logG= -0.677964 Density= 3.500082 ETOT(band)= -1.763314 trlgG= -2.454641 logG= -0.677964 TDE= -4.585200 logGD-logG0= -0.102349 tlogG= -0.577447 logG= -0.679797 Density= 3.499999 ETOT(band)= -1.764609 trlgG= -2.457659 logG= -0.679797 TDE= -4.586319 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101249 tlogG= -0.585896 logG= -0.687145 Density= 3.497513 ETOT(band)= -1.772664 trlgG= -2.468463 logG= -0.687145 TDE= -4.587780 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101276 tlogG= -0.587387 logG= -0.688662 Density= 3.497435 ETOT(band)= -1.773666 trlgG= -2.472063 logG= -0.688662 TDE= -4.589800 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101114 tlogG= -0.592130 logG= -0.693243 Density= 3.496991 ETOT(band)= -1.777192 trlgG= -2.480249 logG= -0.693243 TDE= -4.593049 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101992 tlogG= -0.578851 logG= -0.680842 Density= 3.499179 ETOT(band)= -1.766366 trlgG= -2.459269 logG= -0.680842 TDE= -4.586225 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101233 tlogG= -0.587910 logG= -0.689143 Density= 3.497661 ETOT(band)= -1.773818 trlgG= -2.471029 logG= -0.689143 TDE= -4.588467 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101525 tlogG= -0.585161 logG= -0.686685 Density= 3.498304 ETOT(band)= -1.771364 trlgG= -2.467578 logG= -0.686685 TDE= -4.587989 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101275 tlogG= -0.588154 logG= -0.689429 Density= 3.497515 ETOT(band)= -1.774096 trlgG= -2.473160 logG= -0.689429 TDE= -4.590194 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101172 tlogG= -0.587854 logG= -0.689025 Density= 3.497246 ETOT(band)= -1.774198 trlgG= -2.472124 logG= -0.689025 TDE= -4.589346 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102869 tlogG= -0.573836 logG= -0.676704 Density= 3.501208 ETOT(band)= -1.761078 trlgG= -2.452237 logG= -0.676704 TDE= -4.584959 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101661 tlogG= -0.584328 logG= -0.685990 Density= 3.498514 ETOT(band)= -1.770596 trlgG= -2.467737 logG= -0.685990 TDE= -4.589012 logGD-logG0= -0.102630 tlogG= -0.574721 logG= -0.677352 Density= 3.500619 ETOT(band)= -1.762234 trlgG= -2.453354 logG= -0.677352 TDE= -4.584956 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102257 tlogG= -0.578001 logG= -0.680259 Density= 3.499841 ETOT(band)= -1.765173 trlgG= -2.458032 logG= -0.680259 TDE= -4.586103 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.100975 tlogG= -0.590989 logG= -0.691964 Density= 3.496789 ETOT(band)= -1.776707 trlgG= -2.477295 logG= -0.691964 TDE= -4.591212 logGD-logG0= -0.101416 tlogG= -0.585697 logG= -0.687113 Density= 3.498255 ETOT(band)= -1.771814 trlgG= -2.466495 logG= -0.687113 TDE= -4.586438 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101403 tlogG= -0.587119 logG= -0.688522 Density= 3.497911 ETOT(band)= -1.773008 trlgG= -2.471221 logG= -0.688522 TDE= -4.589480 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101593 tlogG= -0.582779 logG= -0.684372 Density= 3.498281 ETOT(band)= -1.769826 trlgG= -2.464758 logG= -0.684372 TDE= -4.587464 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101412 tlogG= -0.587579 logG= -0.688991 Density= 3.497799 ETOT(band)= -1.773416 trlgG= -2.472861 logG= -0.688991 TDE= -4.590561 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102079 tlogG= -0.578661 logG= -0.680739 Density= 3.499451 ETOT(band)= -1.765987 trlgG= -2.458877 logG= -0.680739 TDE= -4.586154 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102442 tlogG= -0.577277 logG= -0.679719 Density= 3.500283 ETOT(band)= -1.764260 trlgG= -2.457300 logG= -0.679719 TDE= -4.586265 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101073 tlogG= -0.588265 logG= -0.689338 Density= 3.497104 ETOT(band)= -1.774636 trlgG= -2.471675 logG= -0.689338 TDE= -4.588470 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101708 tlogG= -0.582274 logG= -0.683982 Density= 3.498522 ETOT(band)= -1.769227 trlgG= -2.464622 logG= -0.683982 TDE= -4.587911 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.64063714103 eV TrLogG= -1610.63986295586 eV Ratio to renormalize= 1.000495429822 rho-rho_expected=-0.083190994740 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 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= 105 46) Finished k-point number 47 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834730099900554 0.831859395605429 0.835147127649051 0.831772111351207 0.835314221330320 0.831694208244969 0.834980909874957 0.831749244571382 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101203 tlogG= -0.586165 logG= -0.687368 Density= 3.497512 ETOT(band)= -1.772977 trlgG= -2.467446 logG= -0.687368 TDE= -4.586539 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101063 tlogG= -0.590809 logG= -0.691872 Density= 3.497063 ETOT(band)= -1.776389 trlgG= -2.477047 logG= -0.691872 TDE= -4.591275 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101321 tlogG= -0.591395 logG= -0.692717 Density= 3.497440 ETOT(band)= -1.776352 trlgG= -2.479657 logG= -0.692717 TDE= -4.593342 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101285 tlogG= -0.589785 logG= -0.691070 Density= 3.497385 ETOT(band)= -1.775358 trlgG= -2.476533 logG= -0.691070 TDE= -4.591822 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102012 tlogG= -0.578821 logG= -0.680832 Density= 3.499227 ETOT(band)= -1.766395 trlgG= -2.459297 logG= -0.680832 TDE= -4.586302 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101558 tlogG= -0.584809 logG= -0.686367 Density= 3.498308 ETOT(band)= -1.771216 trlgG= -2.467895 logG= -0.686367 TDE= -4.588628 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102463 tlogG= -0.577246 logG= -0.679709 Density= 3.500332 ETOT(band)= -1.764287 trlgG= -2.457320 logG= -0.679709 TDE= -4.586335 logGD-logG0= -0.101922 tlogG= -0.580951 logG= -0.682872 Density= 3.499074 ETOT(band)= -1.767950 trlgG= -2.462407 logG= -0.682872 TDE= -4.587249 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100978 tlogG= -0.592765 logG= -0.693742 Density= 3.496748 ETOT(band)= -1.778002 trlgG= -2.480979 logG= -0.693742 TDE= -4.593085 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101345 tlogG= -0.585515 logG= -0.686860 Density= 3.497682 ETOT(band)= -1.772318 trlgG= -2.468727 logG= -0.686860 TDE= -4.588465 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100995 tlogG= -0.590959 logG= -0.691954 Density= 3.496838 ETOT(band)= -1.776735 trlgG= -2.477314 logG= -0.691954 TDE= -4.591280 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101772 tlogG= -0.581543 logG= -0.683316 Density= 3.498767 ETOT(band)= -1.768658 trlgG= -2.462913 logG= -0.683316 TDE= -4.587065 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101423 tlogG= -0.587089 logG= -0.688512 Density= 3.497960 ETOT(band)= -1.773037 trlgG= -2.471243 logG= -0.688512 TDE= -4.589551 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101613 tlogG= -0.582749 logG= -0.684362 Density= 3.498329 ETOT(band)= -1.769854 trlgG= -2.464782 logG= -0.684362 TDE= -4.587537 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102077 tlogG= -0.580302 logG= -0.682380 Density= 3.499440 ETOT(band)= -1.767150 trlgG= -2.461974 logG= -0.682380 TDE= -4.587602 logGD-logG0= -0.102187 tlogG= -0.578150 logG= -0.680338 Density= 3.499612 ETOT(band)= -1.765565 trlgG= -2.458449 logG= -0.680338 TDE= -4.586257 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101296 tlogG= -0.587356 logG= -0.688652 Density= 3.497484 ETOT(band)= -1.773694 trlgG= -2.472086 logG= -0.688652 TDE= -4.589872 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101253 tlogG= -0.587880 logG= -0.689133 Density= 3.497709 ETOT(band)= -1.773847 trlgG= -2.471051 logG= -0.689133 TDE= -4.588537 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101295 tlogG= -0.588124 logG= -0.689419 Density= 3.497564 ETOT(band)= -1.774124 trlgG= -2.473183 logG= -0.689419 TDE= -4.590267 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101682 tlogG= -0.584298 logG= -0.685980 Density= 3.498563 ETOT(band)= -1.770624 trlgG= -2.467760 logG= -0.685980 TDE= -4.589085 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101515 tlogG= -0.583215 logG= -0.684730 Density= 3.498151 ETOT(band)= -1.770376 trlgG= -2.464708 logG= -0.684730 TDE= -4.586951 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101134 tlogG= -0.592099 logG= -0.693232 Density= 3.497040 ETOT(band)= -1.777219 trlgG= -2.480263 logG= -0.693232 TDE= -4.593113 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101728 tlogG= -0.582243 logG= -0.683972 Density= 3.498571 ETOT(band)= -1.769255 trlgG= -2.464645 logG= -0.683972 TDE= -4.587984 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101177 tlogG= -0.588662 logG= -0.689839 Density= 3.497349 ETOT(band)= -1.774730 trlgG= -2.473164 logG= -0.689839 TDE= -4.589655 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101191 tlogG= -0.587824 logG= -0.689015 Density= 3.497294 ETOT(band)= -1.774226 trlgG= -2.472148 logG= -0.689015 TDE= -4.589418 logGD-logG0= -0.101894 tlogG= -0.581926 logG= -0.683820 Density= 3.499125 ETOT(band)= -1.768536 trlgG= -2.463826 logG= -0.683820 TDE= -4.587760 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102099 tlogG= -0.578631 logG= -0.680729 Density= 3.499499 ETOT(band)= -1.766016 trlgG= -2.458905 logG= -0.680729 TDE= -4.586231 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101432 tlogG= -0.587548 logG= -0.688980 Density= 3.497848 ETOT(band)= -1.773444 trlgG= -2.472883 logG= -0.688980 TDE= -4.590633 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101463 tlogG= -0.585297 logG= -0.686761 Density= 3.498143 ETOT(band)= -1.771748 trlgG= -2.467734 logG= -0.686761 TDE= -4.587940 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102419 tlogG= -0.575535 logG= -0.677954 Density= 3.500131 ETOT(band)= -1.763342 trlgG= -2.454668 logG= -0.677954 TDE= -4.585276 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102651 tlogG= -0.574690 logG= -0.677341 Density= 3.500668 ETOT(band)= -1.762261 trlgG= -2.453375 logG= -0.677341 TDE= -4.585027 logGD-logG0= -0.101269 tlogG= -0.585867 logG= -0.687135 Density= 3.497561 ETOT(band)= -1.772693 trlgG= -2.468488 logG= -0.687135 TDE= -4.587853 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101364 tlogG= -0.585518 logG= -0.686882 Density= 3.497798 ETOT(band)= -1.772240 trlgG= -2.468168 logG= -0.686882 TDE= -4.587976 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101545 tlogG= -0.585131 logG= -0.686676 Density= 3.498352 ETOT(band)= -1.771392 trlgG= -2.467605 logG= -0.686676 TDE= -4.588064 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102278 tlogG= -0.577971 logG= -0.680249 Density= 3.499890 ETOT(band)= -1.765201 trlgG= -2.458052 logG= -0.680249 TDE= -4.586172 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101134 tlogG= -0.590396 logG= -0.691530 Density= 3.497072 ETOT(band)= -1.776092 trlgG= -2.476972 logG= -0.691530 TDE= -4.591550 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101596 tlogG= -0.584475 logG= -0.686071 Density= 3.498257 ETOT(band)= -1.771036 trlgG= -2.468234 logG= -0.686071 TDE= -4.589222 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102889 tlogG= -0.573804 logG= -0.676693 Density= 3.501258 ETOT(band)= -1.761105 trlgG= -2.452255 logG= -0.676693 TDE= -4.585028 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101465 tlogG= -0.585011 logG= -0.686476 Density= 3.497984 ETOT(band)= -1.771672 trlgG= -2.468403 logG= -0.686476 TDE= -4.588767 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101481 tlogG= -0.585423 logG= -0.686904 Density= 3.498299 ETOT(band)= -1.771661 trlgG= -2.467272 logG= -0.686904 TDE= -4.587460 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101436 tlogG= -0.585668 logG= -0.687104 Density= 3.498303 ETOT(band)= -1.771843 trlgG= -2.466522 logG= -0.687104 TDE= -4.586514 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101093 tlogG= -0.588235 logG= -0.689328 Density= 3.497152 ETOT(band)= -1.774665 trlgG= -2.471697 logG= -0.689328 TDE= -4.588541 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101338 tlogG= -0.587509 logG= -0.688848 Density= 3.497810 ETOT(band)= -1.773485 trlgG= -2.471289 logG= -0.688848 TDE= -4.589141 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102370 tlogG= -0.577417 logG= -0.679786 Density= 3.500049 ETOT(band)= -1.764637 trlgG= -2.457679 logG= -0.679786 TDE= -4.586389 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101786 tlogG= -0.582394 logG= -0.684180 Density= 3.498902 ETOT(band)= -1.769071 trlgG= -2.463940 logG= -0.684180 TDE= -4.587337 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101193 tlogG= -0.590267 logG= -0.691459 Density= 3.497281 ETOT(band)= -1.775782 trlgG= -2.476639 logG= -0.691459 TDE= -4.591455 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101336 tlogG= -0.589677 logG= -0.691013 Density= 3.497578 ETOT(band)= -1.775086 trlgG= -2.476187 logG= -0.691013 TDE= -4.591687 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101691 tlogG= -0.582828 logG= -0.684519 Density= 3.498744 ETOT(band)= -1.769537 trlgG= -2.463897 logG= -0.684519 TDE= -4.586828 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 Sum of eigenvalues= -1156.65911093533 eV TrLogG= -1610.67995300615 eV Ratio to renormalize= 1.000481493902 rho-rho_expected=-0.080852045724 nargs= 1 argi=dmft2.def 33) Finished k-point number 34 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 24) Finished k-point number 25 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= 0.834730155764106 0.831859369911942 0.835147193303189 0.831772082519046 0.835314272717112 0.831694180580775 0.834980964591081 0.831749213485476 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101322 tlogG= -0.591400 logG= -0.692721 Density= 3.497440 ETOT(band)= -1.776354 trlgG= -2.479663 logG= -0.692721 TDE= -4.593345 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101063 tlogG= -0.590813 logG= -0.691877 Density= 3.497064 ETOT(band)= -1.776391 trlgG= -2.477053 logG= -0.691877 TDE= -4.591278 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101203 tlogG= -0.586169 logG= -0.687372 Density= 3.497512 ETOT(band)= -1.772979 trlgG= -2.467452 logG= -0.687372 TDE= -4.586541 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101339 tlogG= -0.587514 logG= -0.688852 Density= 3.497810 ETOT(band)= -1.773487 trlgG= -2.471295 logG= -0.688852 TDE= -4.589143 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101922 tlogG= -0.580955 logG= -0.682877 Density= 3.499075 ETOT(band)= -1.767952 trlgG= -2.462414 logG= -0.682877 TDE= -4.587252 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101364 tlogG= -0.585522 logG= -0.686886 Density= 3.497799 ETOT(band)= -1.772242 trlgG= -2.468174 logG= -0.686886 TDE= -4.587979 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101286 tlogG= -0.589789 logG= -0.691075 Density= 3.497386 ETOT(band)= -1.775360 trlgG= -2.476539 logG= -0.691075 TDE= -4.591824 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101296 tlogG= -0.587361 logG= -0.688656 Density= 3.497485 ETOT(band)= -1.773696 trlgG= -2.472092 logG= -0.688656 TDE= -4.589875 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101134 tlogG= -0.590400 logG= -0.691534 Density= 3.497073 ETOT(band)= -1.776094 trlgG= -2.476979 logG= -0.691534 TDE= -4.591553 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100978 tlogG= -0.592769 logG= -0.693747 Density= 3.496749 ETOT(band)= -1.778004 trlgG= -2.480985 logG= -0.693747 TDE= -4.593087 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.100995 tlogG= -0.590963 logG= -0.691958 Density= 3.496839 ETOT(band)= -1.776737 trlgG= -2.477320 logG= -0.691958 TDE= -4.591282 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101464 tlogG= -0.585302 logG= -0.686765 Density= 3.498144 ETOT(band)= -1.771750 trlgG= -2.467741 logG= -0.686765 TDE= -4.587943 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101423 tlogG= -0.587093 logG= -0.688517 Density= 3.497961 ETOT(band)= -1.773039 trlgG= -2.471249 logG= -0.688517 TDE= -4.589554 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102187 tlogG= -0.578155 logG= -0.680342 Density= 3.499613 ETOT(band)= -1.765567 trlgG= -2.458455 logG= -0.680342 TDE= -4.586260 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101436 tlogG= -0.585672 logG= -0.687108 Density= 3.498304 ETOT(band)= -1.771845 trlgG= -2.466528 logG= -0.687108 TDE= -4.586516 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101515 tlogG= -0.583219 logG= -0.684735 Density= 3.498152 ETOT(band)= -1.770378 trlgG= -2.464714 logG= -0.684735 TDE= -4.586953 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101253 tlogG= -0.587884 logG= -0.689138 Density= 3.497710 ETOT(band)= -1.773849 trlgG= -2.471057 logG= -0.689138 TDE= -4.588539 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101134 tlogG= -0.592103 logG= -0.693237 Density= 3.497041 ETOT(band)= -1.777221 trlgG= -2.480270 logG= -0.693237 TDE= -4.593115 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101193 tlogG= -0.590271 logG= -0.691464 Density= 3.497282 ETOT(band)= -1.775784 trlgG= -2.476645 logG= -0.691464 TDE= -4.591458 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102651 tlogG= -0.574695 logG= -0.677345 Density= 3.500669 ETOT(band)= -1.762263 trlgG= -2.453382 logG= -0.677345 TDE= -4.585030 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.102012 tlogG= -0.578825 logG= -0.680837 Density= 3.499228 ETOT(band)= -1.766397 trlgG= -2.459304 logG= -0.680837 TDE= -4.586304 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101558 tlogG= -0.584813 logG= -0.686371 Density= 3.498309 ETOT(band)= -1.771218 trlgG= -2.467902 logG= -0.686371 TDE= -4.588631 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101481 tlogG= -0.585427 logG= -0.686909 Density= 3.498300 ETOT(band)= -1.771663 trlgG= -2.467278 logG= -0.686909 TDE= -4.587462 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101177 tlogG= -0.588666 logG= -0.689843 Density= 3.497350 ETOT(band)= -1.774731 trlgG= -2.473170 logG= -0.689843 TDE= -4.589658 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101773 tlogG= -0.581548 logG= -0.683320 Density= 3.498767 ETOT(band)= -1.768660 trlgG= -2.462920 logG= -0.683320 TDE= -4.587068 logGD-logG0= -0.101682 tlogG= -0.584302 logG= -0.685984 Density= 3.498564 ETOT(band)= -1.770626 trlgG= -2.467767 logG= -0.685984 TDE= -4.589087 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101093 tlogG= -0.588239 logG= -0.689332 Density= 3.497153 ETOT(band)= -1.774667 trlgG= -2.471704 logG= -0.689332 TDE= -4.588544 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101728 tlogG= -0.582248 logG= -0.683976 Density= 3.498571 ETOT(band)= -1.769257 trlgG= -2.464652 logG= -0.683976 TDE= -4.587986 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101345 tlogG= -0.585519 logG= -0.686864 Density= 3.497683 ETOT(band)= -1.772320 trlgG= -2.468734 logG= -0.686864 TDE= -4.588467 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101269 tlogG= -0.585871 logG= -0.687140 Density= 3.497562 ETOT(band)= -1.772695 trlgG= -2.468494 logG= -0.687140 TDE= -4.587855 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101192 tlogG= -0.587828 logG= -0.689020 Density= 3.497295 ETOT(band)= -1.774228 trlgG= -2.472154 logG= -0.689020 TDE= -4.589421 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101894 tlogG= -0.581931 logG= -0.683825 Density= 3.499125 ETOT(band)= -1.768538 trlgG= -2.463832 logG= -0.683825 TDE= -4.587762 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101545 tlogG= -0.585135 logG= -0.686680 Density= 3.498353 ETOT(band)= -1.771394 trlgG= -2.467611 logG= -0.686680 TDE= -4.588067 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101465 tlogG= -0.585016 logG= -0.686480 Density= 3.497985 ETOT(band)= -1.771674 trlgG= -2.468410 logG= -0.686480 TDE= -4.588770 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101596 tlogG= -0.584479 logG= -0.686075 Density= 3.498258 ETOT(band)= -1.771038 trlgG= -2.468241 logG= -0.686075 TDE= -4.589225 logGD-logG0= -0.102370 tlogG= -0.577421 logG= -0.679791 Density= 3.500049 ETOT(band)= -1.764639 trlgG= -2.457685 logG= -0.679791 TDE= -4.586391 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102889 tlogG= -0.573809 logG= -0.676698 Density= 3.501259 ETOT(band)= -1.761107 trlgG= -2.452261 logG= -0.676698 TDE= -4.585030 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.102099 tlogG= -0.578635 logG= -0.680734 Density= 3.499500 ETOT(band)= -1.766018 trlgG= -2.458911 logG= -0.680734 TDE= -4.586233 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101613 tlogG= -0.582753 logG= -0.684367 Density= 3.498330 ETOT(band)= -1.769856 trlgG= -2.464789 logG= -0.684367 TDE= -4.587539 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101786 tlogG= -0.582398 logG= -0.684184 Density= 3.498903 ETOT(band)= -1.769073 trlgG= -2.463947 logG= -0.684184 TDE= -4.587339 logGD-logG0= -0.101432 tlogG= -0.587553 logG= -0.688985 Density= 3.497849 ETOT(band)= -1.773446 trlgG= -2.472889 logG= -0.688985 TDE= -4.590636 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102078 tlogG= -0.580307 logG= -0.682384 Density= 3.499440 ETOT(band)= -1.767152 trlgG= -2.461981 logG= -0.682384 TDE= -4.587605 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101296 tlogG= -0.588128 logG= -0.689424 Density= 3.497565 ETOT(band)= -1.774126 trlgG= -2.473190 logG= -0.689424 TDE= -4.590269 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101691 tlogG= -0.582832 logG= -0.684523 Density= 3.498745 ETOT(band)= -1.769539 trlgG= -2.463904 logG= -0.684523 TDE= -4.586830 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102463 tlogG= -0.577251 logG= -0.679714 Density= 3.500333 ETOT(band)= -1.764289 trlgG= -2.457327 logG= -0.679714 TDE= -4.586337 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101337 tlogG= -0.589681 logG= -0.691018 Density= 3.497578 ETOT(band)= -1.775088 trlgG= -2.476193 logG= -0.691018 TDE= -4.591689 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102419 tlogG= -0.575540 logG= -0.677959 Density= 3.500131 ETOT(band)= -1.763344 trlgG= -2.454675 logG= -0.677959 TDE= -4.585279 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102278 tlogG= -0.577975 logG= -0.680253 Density= 3.499890 ETOT(band)= -1.765203 trlgG= -2.458059 logG= -0.680253 TDE= -4.586175 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1156.66037846325 eV TrLogG= -1610.68450448903 eV Ratio to renormalize= 1.000481305562 rho-rho_expected=-0.080820435149 nargs= 1 argi=dmft2.def 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= 105 6) Finished k-point number 7 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834730113125893 0.831859326843034 0.835147151704465 0.831772039256585 0.835314230414738 0.831694137475811 0.834980921887084 0.831749170431504 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101253 tlogG= -0.587884 logG= -0.689138 Density= 3.497710 ETOT(band)= -1.773849 trlgG= -2.471057 logG= -0.689138 TDE= -4.588539 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100978 tlogG= -0.592769 logG= -0.693747 Density= 3.496749 ETOT(band)= -1.778004 trlgG= -2.480985 logG= -0.693747 TDE= -4.593087 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101423 tlogG= -0.587093 logG= -0.688517 Density= 3.497961 ETOT(band)= -1.773038 trlgG= -2.471249 logG= -0.688517 TDE= -4.589554 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101322 tlogG= -0.591400 logG= -0.692722 Density= 3.497441 ETOT(band)= -1.776353 trlgG= -2.479663 logG= -0.692722 TDE= -4.593345 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101558 tlogG= -0.584813 logG= -0.686372 Density= 3.498309 ETOT(band)= -1.771218 trlgG= -2.467902 logG= -0.686372 TDE= -4.588631 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101515 tlogG= -0.583220 logG= -0.684735 Density= 3.498152 ETOT(band)= -1.770378 trlgG= -2.464714 logG= -0.684735 TDE= -4.586953 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101596 tlogG= -0.584479 logG= -0.686076 Density= 3.498258 ETOT(band)= -1.771038 trlgG= -2.468241 logG= -0.686076 TDE= -4.589225 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101177 tlogG= -0.588666 logG= -0.689843 Density= 3.497350 ETOT(band)= -1.774731 trlgG= -2.473170 logG= -0.689843 TDE= -4.589658 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101063 tlogG= -0.590814 logG= -0.691877 Density= 3.497064 ETOT(band)= -1.776391 trlgG= -2.477053 logG= -0.691877 TDE= -4.591278 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101364 tlogG= -0.585522 logG= -0.686886 Density= 3.497799 ETOT(band)= -1.772241 trlgG= -2.468174 logG= -0.686886 TDE= -4.587979 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101345 tlogG= -0.585519 logG= -0.686864 Density= 3.497683 ETOT(band)= -1.772320 trlgG= -2.468734 logG= -0.686864 TDE= -4.588467 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101203 tlogG= -0.586169 logG= -0.687372 Density= 3.497512 ETOT(band)= -1.772978 trlgG= -2.467452 logG= -0.687372 TDE= -4.586541 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102188 tlogG= -0.578155 logG= -0.680342 Density= 3.499613 ETOT(band)= -1.765567 trlgG= -2.458455 logG= -0.680342 TDE= -4.586260 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101682 tlogG= -0.584302 logG= -0.685984 Density= 3.498564 ETOT(band)= -1.770626 trlgG= -2.467767 logG= -0.685984 TDE= -4.589087 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101134 tlogG= -0.592103 logG= -0.693237 Density= 3.497041 ETOT(band)= -1.777221 trlgG= -2.480270 logG= -0.693237 TDE= -4.593115 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102099 tlogG= -0.578635 logG= -0.680734 Density= 3.499500 ETOT(band)= -1.766017 trlgG= -2.458911 logG= -0.680734 TDE= -4.586233 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101339 tlogG= -0.587514 logG= -0.688852 Density= 3.497810 ETOT(band)= -1.773487 trlgG= -2.471295 logG= -0.688852 TDE= -4.589143 logGD-logG0= -0.101922 tlogG= -0.580955 logG= -0.682877 Density= 3.499075 ETOT(band)= -1.767952 trlgG= -2.462414 logG= -0.682877 TDE= -4.587252 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101296 tlogG= -0.587361 logG= -0.688656 Density= 3.497485 ETOT(band)= -1.773696 trlgG= -2.472092 logG= -0.688656 TDE= -4.589875 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101286 tlogG= -0.589789 logG= -0.691075 Density= 3.497386 ETOT(band)= -1.775360 trlgG= -2.476539 logG= -0.691075 TDE= -4.591824 logGD-logG0= -0.101436 tlogG= -0.585672 logG= -0.687108 Density= 3.498304 ETOT(band)= -1.771845 trlgG= -2.466528 logG= -0.687108 TDE= -4.586516 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101773 tlogG= -0.581548 logG= -0.683321 Density= 3.498768 ETOT(band)= -1.768660 trlgG= -2.462920 logG= -0.683321 TDE= -4.587068 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101481 tlogG= -0.585428 logG= -0.686909 Density= 3.498300 ETOT(band)= -1.771663 trlgG= -2.467278 logG= -0.686909 TDE= -4.587462 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101613 tlogG= -0.582753 logG= -0.684367 Density= 3.498330 ETOT(band)= -1.769856 trlgG= -2.464789 logG= -0.684367 TDE= -4.587539 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101464 tlogG= -0.585302 logG= -0.686765 Density= 3.498144 ETOT(band)= -1.771750 trlgG= -2.467741 logG= -0.686765 TDE= -4.587943 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102078 tlogG= -0.580307 logG= -0.682384 Density= 3.499441 ETOT(band)= -1.767152 trlgG= -2.461981 logG= -0.682384 TDE= -4.587605 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101093 tlogG= -0.588239 logG= -0.689332 Density= 3.497153 ETOT(band)= -1.774667 trlgG= -2.471704 logG= -0.689332 TDE= -4.588544 logGD-logG0= -0.101786 tlogG= -0.582398 logG= -0.684184 Density= 3.498903 ETOT(band)= -1.769073 trlgG= -2.463947 logG= -0.684184 TDE= -4.587339 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102012 tlogG= -0.578825 logG= -0.680837 Density= 3.499228 ETOT(band)= -1.766397 trlgG= -2.459303 logG= -0.680837 TDE= -4.586304 logGD-logG0= -0.102419 tlogG= -0.575540 logG= -0.677959 Density= 3.500132 ETOT(band)= -1.763344 trlgG= -2.454675 logG= -0.677959 TDE= -4.585279 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102890 tlogG= -0.573809 logG= -0.676698 Density= 3.501259 ETOT(band)= -1.761107 trlgG= -2.452261 logG= -0.676698 TDE= -4.585030 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.102651 tlogG= -0.574695 logG= -0.677346 Density= 3.500669 ETOT(band)= -1.762263 trlgG= -2.453381 logG= -0.677346 TDE= -4.585030 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.100995 tlogG= -0.590963 logG= -0.691958 Density= 3.496839 ETOT(band)= -1.776737 trlgG= -2.477320 logG= -0.691958 TDE= -4.591282 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101729 tlogG= -0.582248 logG= -0.683976 Density= 3.498571 ETOT(band)= -1.769257 trlgG= -2.464652 logG= -0.683976 TDE= -4.587986 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102463 tlogG= -0.577251 logG= -0.679714 Density= 3.500333 ETOT(band)= -1.764289 trlgG= -2.457327 logG= -0.679714 TDE= -4.586337 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101134 tlogG= -0.590400 logG= -0.691535 Density= 3.497073 ETOT(band)= -1.776094 trlgG= -2.476979 logG= -0.691535 TDE= -4.591553 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101269 tlogG= -0.585871 logG= -0.687140 Density= 3.497562 ETOT(band)= -1.772695 trlgG= -2.468494 logG= -0.687140 TDE= -4.587855 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102370 tlogG= -0.577421 logG= -0.679791 Density= 3.500049 ETOT(band)= -1.764639 trlgG= -2.457685 logG= -0.679791 TDE= -4.586391 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101337 tlogG= -0.589681 logG= -0.691018 Density= 3.497579 ETOT(band)= -1.775087 trlgG= -2.476193 logG= -0.691018 TDE= -4.591689 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101193 tlogG= -0.590271 logG= -0.691464 Density= 3.497282 ETOT(band)= -1.775784 trlgG= -2.476645 logG= -0.691464 TDE= -4.591458 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101296 tlogG= -0.588128 logG= -0.689424 Density= 3.497565 ETOT(band)= -1.774126 trlgG= -2.473190 logG= -0.689424 TDE= -4.590269 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101432 tlogG= -0.587553 logG= -0.688985 Density= 3.497849 ETOT(band)= -1.773446 trlgG= -2.472889 logG= -0.688985 TDE= -4.590635 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101894 tlogG= -0.581931 logG= -0.683825 Density= 3.499125 ETOT(band)= -1.768538 trlgG= -2.463832 logG= -0.683825 TDE= -4.587762 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101691 tlogG= -0.582832 logG= -0.684524 Density= 3.498745 ETOT(band)= -1.769539 trlgG= -2.463904 logG= -0.684524 TDE= -4.586830 logGD-logG0= -0.101465 tlogG= -0.585016 logG= -0.686481 Density= 3.497985 ETOT(band)= -1.771674 trlgG= -2.468410 logG= -0.686481 TDE= -4.588770 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101545 tlogG= -0.585135 logG= -0.686680 Density= 3.498353 ETOT(band)= -1.771394 trlgG= -2.467611 logG= -0.686680 TDE= -4.588067 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101192 tlogG= -0.587828 logG= -0.689020 Density= 3.497295 ETOT(band)= -1.774228 trlgG= -2.472154 logG= -0.689020 TDE= -4.589421 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102278 tlogG= -0.577975 logG= -0.680253 Density= 3.499890 ETOT(band)= -1.765203 trlgG= -2.458059 logG= -0.680253 TDE= -4.586175 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1156.66026072778 eV TrLogG= -1610.68453940089 eV Ratio to renormalize= 1.000481268777 rho-rho_expected=-0.080814261181 nargs= 1 argi=dmft2.def 29) Finished k-point number 30 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 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 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 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= 105 7) Finished k-point number 8 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 44) Finished k-point number 45 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= 0.834728993527488 0.831858194374893 0.835146026933965 0.831770909255282 0.835313122016528 0.831693001106445 0.834979805528738 0.831748037373342 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101558 tlogG= -0.584813 logG= -0.686371 Density= 3.498308 ETOT(band)= -1.771216 trlgG= -2.467899 logG= -0.686371 TDE= -4.588629 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101321 tlogG= -0.591399 logG= -0.692721 Density= 3.497439 ETOT(band)= -1.776352 trlgG= -2.479661 logG= -0.692721 TDE= -4.593343 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101463 tlogG= -0.585301 logG= -0.686765 Density= 3.498143 ETOT(band)= -1.771748 trlgG= -2.467738 logG= -0.686765 TDE= -4.587940 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101515 tlogG= -0.583219 logG= -0.684734 Density= 3.498151 ETOT(band)= -1.770376 trlgG= -2.464712 logG= -0.684734 TDE= -4.586951 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101063 tlogG= -0.590813 logG= -0.691876 Density= 3.497063 ETOT(band)= -1.776390 trlgG= -2.477051 logG= -0.691876 TDE= -4.591276 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101177 tlogG= -0.588666 logG= -0.689843 Density= 3.497349 ETOT(band)= -1.774730 trlgG= -2.473168 logG= -0.689843 TDE= -4.589655 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101345 tlogG= -0.585519 logG= -0.686864 Density= 3.497682 ETOT(band)= -1.772318 trlgG= -2.468731 logG= -0.686864 TDE= -4.588465 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101203 tlogG= -0.586169 logG= -0.687372 Density= 3.497511 ETOT(band)= -1.772977 trlgG= -2.467450 logG= -0.687372 TDE= -4.586539 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102463 tlogG= -0.577250 logG= -0.679713 Density= 3.500332 ETOT(band)= -1.764288 trlgG= -2.457324 logG= -0.679713 TDE= -4.586335 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102077 tlogG= -0.580306 logG= -0.682384 Density= 3.499440 ETOT(band)= -1.767150 trlgG= -2.461979 logG= -0.682384 TDE= -4.587602 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101295 tlogG= -0.587360 logG= -0.688656 Density= 3.497484 ETOT(band)= -1.773694 trlgG= -2.472090 logG= -0.688656 TDE= -4.589872 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101922 tlogG= -0.580955 logG= -0.682876 Density= 3.499074 ETOT(band)= -1.767950 trlgG= -2.462411 logG= -0.682876 TDE= -4.587249 logGD-logG0= -0.101364 tlogG= -0.585522 logG= -0.686886 Density= 3.497798 ETOT(band)= -1.772240 trlgG= -2.468172 logG= -0.686886 TDE= -4.587976 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100995 tlogG= -0.590963 logG= -0.691958 Density= 3.496838 ETOT(band)= -1.776735 trlgG= -2.477318 logG= -0.691958 TDE= -4.591280 logGD-logG0= -0.101253 tlogG= -0.587884 logG= -0.689137 Density= 3.497709 ETOT(band)= -1.773847 trlgG= -2.471055 logG= -0.689137 TDE= -4.588537 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.100978 tlogG= -0.592769 logG= -0.693746 Density= 3.496748 ETOT(band)= -1.778002 trlgG= -2.480983 logG= -0.693746 TDE= -4.593085 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101285 tlogG= -0.589789 logG= -0.691074 Density= 3.497385 ETOT(band)= -1.775358 trlgG= -2.476537 logG= -0.691074 TDE= -4.591822 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101481 tlogG= -0.585427 logG= -0.686908 Density= 3.498299 ETOT(band)= -1.771661 trlgG= -2.467276 logG= -0.686908 TDE= -4.587460 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102187 tlogG= -0.578154 logG= -0.680341 Density= 3.499612 ETOT(band)= -1.765565 trlgG= -2.458453 logG= -0.680341 TDE= -4.586257 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101134 tlogG= -0.590400 logG= -0.691534 Density= 3.497072 ETOT(band)= -1.776092 trlgG= -2.476977 logG= -0.691534 TDE= -4.591550 logGD-logG0= -0.101786 tlogG= -0.582398 logG= -0.684184 Density= 3.498902 ETOT(band)= -1.769072 trlgG= -2.463945 logG= -0.684184 TDE= -4.587337 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101336 tlogG= -0.589681 logG= -0.691017 Density= 3.497578 ETOT(band)= -1.775086 trlgG= -2.476191 logG= -0.691017 TDE= -4.591687 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101681 tlogG= -0.584302 logG= -0.685983 Density= 3.498563 ETOT(band)= -1.770624 trlgG= -2.467764 logG= -0.685983 TDE= -4.589085 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101432 tlogG= -0.587552 logG= -0.688984 Density= 3.497848 ETOT(band)= -1.773444 trlgG= -2.472887 logG= -0.688984 TDE= -4.590633 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101338 tlogG= -0.587513 logG= -0.688852 Density= 3.497809 ETOT(band)= -1.773486 trlgG= -2.471293 logG= -0.688852 TDE= -4.589141 logGD-logG0= -0.101772 tlogG= -0.581547 logG= -0.683320 Density= 3.498767 ETOT(band)= -1.768658 trlgG= -2.462917 logG= -0.683320 TDE= -4.587065 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102277 tlogG= -0.577975 logG= -0.680252 Density= 3.499889 ETOT(band)= -1.765202 trlgG= -2.458056 logG= -0.680252 TDE= -4.586173 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101191 tlogG= -0.587828 logG= -0.689019 Density= 3.497294 ETOT(band)= -1.774227 trlgG= -2.472152 logG= -0.689019 TDE= -4.589419 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101464 tlogG= -0.585015 logG= -0.686480 Density= 3.497984 ETOT(band)= -1.771672 trlgG= -2.468408 logG= -0.686480 TDE= -4.588767 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102012 tlogG= -0.578825 logG= -0.680836 Density= 3.499227 ETOT(band)= -1.766395 trlgG= -2.459301 logG= -0.680836 TDE= -4.586302 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101134 tlogG= -0.592103 logG= -0.693236 Density= 3.497040 ETOT(band)= -1.777220 trlgG= -2.480268 logG= -0.693236 TDE= -4.593113 logGD-logG0= -0.101436 tlogG= -0.585672 logG= -0.687107 Density= 3.498303 ETOT(band)= -1.771843 trlgG= -2.466526 logG= -0.687107 TDE= -4.586514 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101596 tlogG= -0.584479 logG= -0.686075 Density= 3.498257 ETOT(band)= -1.771036 trlgG= -2.468239 logG= -0.686075 TDE= -4.589223 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101544 tlogG= -0.585135 logG= -0.686679 Density= 3.498352 ETOT(band)= -1.771393 trlgG= -2.467609 logG= -0.686679 TDE= -4.588064 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102370 tlogG= -0.577421 logG= -0.679790 Density= 3.500048 ETOT(band)= -1.764637 trlgG= -2.457683 logG= -0.679790 TDE= -4.586389 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101613 tlogG= -0.582753 logG= -0.684366 Density= 3.498329 ETOT(band)= -1.769854 trlgG= -2.464786 logG= -0.684366 TDE= -4.587537 logGD-logG0= -0.101295 tlogG= -0.588128 logG= -0.689423 Density= 3.497564 ETOT(band)= -1.774124 trlgG= -2.473187 logG= -0.689423 TDE= -4.590267 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102889 tlogG= -0.573808 logG= -0.676697 Density= 3.501258 ETOT(band)= -1.761105 trlgG= -2.452259 logG= -0.676697 TDE= -4.585028 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101269 tlogG= -0.585870 logG= -0.687139 Density= 3.497561 ETOT(band)= -1.772693 trlgG= -2.468492 logG= -0.687139 TDE= -4.587853 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101423 tlogG= -0.587093 logG= -0.688516 Density= 3.497960 ETOT(band)= -1.773037 trlgG= -2.471247 logG= -0.688516 TDE= -4.589551 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101193 tlogG= -0.590271 logG= -0.691463 Density= 3.497281 ETOT(band)= -1.775782 trlgG= -2.476643 logG= -0.691463 TDE= -4.591455 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102650 tlogG= -0.574694 logG= -0.677345 Density= 3.500668 ETOT(band)= -1.762262 trlgG= -2.453379 logG= -0.677345 TDE= -4.585028 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101894 tlogG= -0.581930 logG= -0.683824 Density= 3.499124 ETOT(band)= -1.768537 trlgG= -2.463830 logG= -0.683824 TDE= -4.587760 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102099 tlogG= -0.578635 logG= -0.680733 Density= 3.499499 ETOT(band)= -1.766016 trlgG= -2.458909 logG= -0.680733 TDE= -4.586231 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101728 tlogG= -0.582247 logG= -0.683975 Density= 3.498570 ETOT(band)= -1.769256 trlgG= -2.464649 logG= -0.683975 TDE= -4.587984 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102419 tlogG= -0.575539 logG= -0.677958 Density= 3.500131 ETOT(band)= -1.763343 trlgG= -2.454673 logG= -0.677958 TDE= -4.585277 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101093 tlogG= -0.588239 logG= -0.689332 Density= 3.497152 ETOT(band)= -1.774665 trlgG= -2.471701 logG= -0.689332 TDE= -4.588541 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101691 tlogG= -0.582832 logG= -0.684523 Density= 3.498744 ETOT(band)= -1.769537 trlgG= -2.463901 logG= -0.684523 TDE= -4.586828 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 Sum of eigenvalues= -1156.65930944748 eV TrLogG= -1610.68254810488 eV Ratio to renormalize= 1.000481553924 rho-rho_expected=-0.080862119751 nargs= 1 argi=dmft2.def 30) Finished k-point number 31 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 36) Finished k-point number 37 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= 105 24) Finished k-point number 25 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 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= 0.834786918923766 0.831919284908639 0.835203874019637 0.831832077598056 0.835370572919941 0.831754336323298 0.835037678624742 0.831809247244426 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101009 tlogG= -0.592725 logG= -0.693734 Density= 3.496824 ETOT(band)= -1.778033 trlgG= -2.481002 logG= -0.693734 TDE= -4.593177 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101369 tlogG= -0.587471 logG= -0.688841 Density= 3.497885 ETOT(band)= -1.773518 trlgG= -2.471320 logG= -0.688841 TDE= -4.589239 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101376 tlogG= -0.585476 logG= -0.686852 Density= 3.497757 ETOT(band)= -1.772350 trlgG= -2.468759 logG= -0.686852 TDE= -4.588565 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101317 tlogG= -0.589745 logG= -0.691061 Density= 3.497461 ETOT(band)= -1.775388 trlgG= -2.476549 logG= -0.691061 TDE= -4.591907 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101284 tlogG= -0.587842 logG= -0.689126 Density= 3.497784 ETOT(band)= -1.773880 trlgG= -2.471079 logG= -0.689126 TDE= -4.588632 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101353 tlogG= -0.591355 logG= -0.692708 Density= 3.497516 ETOT(band)= -1.776381 trlgG= -2.479667 logG= -0.692708 TDE= -4.593424 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101222 tlogG= -0.587785 logG= -0.689008 Density= 3.497369 ETOT(band)= -1.774258 trlgG= -2.472179 logG= -0.689008 TDE= -4.589517 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101234 tlogG= -0.586127 logG= -0.687361 Density= 3.497586 ETOT(band)= -1.773010 trlgG= -2.467480 logG= -0.687361 TDE= -4.586639 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101953 tlogG= -0.580912 logG= -0.682865 Density= 3.499150 ETOT(band)= -1.767982 trlgG= -2.462438 logG= -0.682865 TDE= -4.587349 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102921 tlogG= -0.573764 logG= -0.676685 Density= 3.501335 ETOT(band)= -1.761136 trlgG= -2.452279 logG= -0.676685 TDE= -4.585123 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.102109 tlogG= -0.580263 logG= -0.682372 Density= 3.499516 ETOT(band)= -1.767181 trlgG= -2.462005 logG= -0.682372 TDE= -4.587702 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.102043 tlogG= -0.578782 logG= -0.680825 Density= 3.499303 ETOT(band)= -1.766427 trlgG= -2.459336 logG= -0.680825 TDE= -4.586409 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101094 tlogG= -0.590770 logG= -0.691864 Density= 3.497138 ETOT(band)= -1.776421 trlgG= -2.477071 logG= -0.691864 TDE= -4.591368 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101495 tlogG= -0.585259 logG= -0.686754 Density= 3.498218 ETOT(band)= -1.771781 trlgG= -2.467770 logG= -0.686754 TDE= -4.588044 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102219 tlogG= -0.578111 logG= -0.680330 Density= 3.499688 ETOT(band)= -1.765597 trlgG= -2.458476 logG= -0.680330 TDE= -4.586353 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101327 tlogG= -0.587317 logG= -0.688644 Density= 3.497560 ETOT(band)= -1.773725 trlgG= -2.472116 logG= -0.688644 TDE= -4.589972 37) Finished k-point 38 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101395 tlogG= -0.585480 logG= -0.686874 Density= 3.497873 ETOT(band)= -1.772272 trlgG= -2.468204 logG= -0.686874 TDE= -4.588080 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102495 tlogG= -0.577207 logG= -0.679701 Density= 3.500409 ETOT(band)= -1.764319 trlgG= -2.457347 logG= -0.679701 TDE= -4.586431 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101817 tlogG= -0.582356 logG= -0.684173 Density= 3.498977 ETOT(band)= -1.769104 trlgG= -2.463973 logG= -0.684173 TDE= -4.587437 logGD-logG0= -0.101496 tlogG= -0.584973 logG= -0.686468 Density= 3.498060 ETOT(band)= -1.771704 trlgG= -2.468436 logG= -0.686468 TDE= -4.588868 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101463 tlogG= -0.587509 logG= -0.688972 Density= 3.497924 ETOT(band)= -1.773475 trlgG= -2.472912 logG= -0.688972 TDE= -4.590732 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101804 tlogG= -0.581505 logG= -0.683309 Density= 3.498842 ETOT(band)= -1.768691 trlgG= -2.462952 logG= -0.683309 TDE= -4.587172 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101644 tlogG= -0.582711 logG= -0.684355 Density= 3.498404 ETOT(band)= -1.769887 trlgG= -2.464814 logG= -0.684355 TDE= -4.587637 logGD-logG0= -0.101327 tlogG= -0.588084 logG= -0.689411 Density= 3.497639 ETOT(band)= -1.774156 trlgG= -2.473215 logG= -0.689411 TDE= -4.590367 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101589 tlogG= -0.584770 logG= -0.686359 Density= 3.498384 ETOT(band)= -1.771248 trlgG= -2.467928 logG= -0.686359 TDE= -4.588729 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101208 tlogG= -0.588623 logG= -0.689831 Density= 3.497424 ETOT(band)= -1.774761 trlgG= -2.473195 logG= -0.689831 TDE= -4.589754 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101759 tlogG= -0.582204 logG= -0.683964 Density= 3.498646 ETOT(band)= -1.769287 trlgG= -2.464677 logG= -0.683964 TDE= -4.588084 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101300 tlogG= -0.585828 logG= -0.687128 Density= 3.497636 ETOT(band)= -1.772726 trlgG= -2.468521 logG= -0.687128 TDE= -4.587954 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101925 tlogG= -0.581888 logG= -0.683813 Density= 3.499200 ETOT(band)= -1.768569 trlgG= -2.463857 logG= -0.683813 TDE= -4.587860 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101713 tlogG= -0.584259 logG= -0.685972 Density= 3.498639 ETOT(band)= -1.770655 trlgG= -2.467791 logG= -0.685972 TDE= -4.589185 logGD-logG0= -0.102450 tlogG= -0.575496 logG= -0.677946 Density= 3.500207 ETOT(band)= -1.763374 trlgG= -2.454706 logG= -0.677946 TDE= -4.585383 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.102682 tlogG= -0.574650 logG= -0.677333 Density= 3.500744 ETOT(band)= -1.762293 trlgG= -2.453404 logG= -0.677333 TDE= -4.585126 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101546 tlogG= -0.583177 logG= -0.684723 Density= 3.498226 ETOT(band)= -1.770409 trlgG= -2.464747 logG= -0.684723 TDE= -4.587058 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101165 tlogG= -0.590356 logG= -0.691521 Density= 3.497147 ETOT(band)= -1.776123 trlgG= -2.476992 logG= -0.691521 TDE= -4.591639 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101124 tlogG= -0.588197 logG= -0.689321 Density= 3.497227 ETOT(band)= -1.774698 trlgG= -2.471728 logG= -0.689321 TDE= -4.588639 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101368 tlogG= -0.589637 logG= -0.691005 Density= 3.497654 ETOT(band)= -1.775116 trlgG= -2.476203 logG= -0.691005 TDE= -4.591773 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101224 tlogG= -0.590227 logG= -0.691451 Density= 3.497357 ETOT(band)= -1.775813 trlgG= -2.476660 logG= -0.691451 TDE= -4.591546 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102401 tlogG= -0.577377 logG= -0.679778 Density= 3.500125 ETOT(band)= -1.764668 trlgG= -2.457705 logG= -0.679778 TDE= -4.586484 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101576 tlogG= -0.585093 logG= -0.686669 Density= 3.498427 ETOT(band)= -1.771425 trlgG= -2.467642 logG= -0.686669 TDE= -4.588169 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101026 tlogG= -0.590920 logG= -0.691946 Density= 3.496913 ETOT(band)= -1.776767 trlgG= -2.477337 logG= -0.691946 TDE= -4.591372 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101454 tlogG= -0.587050 logG= -0.688505 Density= 3.498036 ETOT(band)= -1.773068 trlgG= -2.471273 logG= -0.688505 TDE= -4.589649 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102130 tlogG= -0.578592 logG= -0.680722 Density= 3.499575 ETOT(band)= -1.766048 trlgG= -2.458944 logG= -0.680722 TDE= -4.586338 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101627 tlogG= -0.584436 logG= -0.686063 Density= 3.498333 ETOT(band)= -1.771068 trlgG= -2.468265 logG= -0.686063 TDE= -4.589322 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101165 tlogG= -0.592059 logG= -0.693224 Density= 3.497116 ETOT(band)= -1.777250 trlgG= -2.480281 logG= -0.693224 TDE= -4.593200 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101467 tlogG= -0.585631 logG= -0.687098 Density= 3.498378 ETOT(band)= -1.771877 trlgG= -2.466560 logG= -0.687098 TDE= -4.586618 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101722 tlogG= -0.582790 logG= -0.684512 Density= 3.498819 ETOT(band)= -1.769570 trlgG= -2.463937 logG= -0.684512 TDE= -4.586934 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101512 tlogG= -0.585386 logG= -0.686898 Density= 3.498374 ETOT(band)= -1.771694 trlgG= -2.467310 logG= -0.686898 TDE= -4.587565 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102309 tlogG= -0.577932 logG= -0.680241 Density= 3.499965 ETOT(band)= -1.765233 trlgG= -2.458079 logG= -0.680241 TDE= -4.586268 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 Sum of eigenvalues= -1156.67993817601 eV TrLogG= -1610.73915466312 eV Ratio to renormalize= 1.000459905701 rho-rho_expected=-0.077228639870 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 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= 105 44) Finished k-point number 45 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834786296729078 0.831923930716140 0.835203655368822 0.831836531995904 0.835369913326488 0.831758989107698 0.835037111074725 0.831813880391095 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101039 tlogG= -0.592714 logG= -0.693754 Density= 3.496880 ETOT(band)= -1.777957 trlgG= -2.480951 logG= -0.693754 TDE= -4.593152 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101124 tlogG= -0.590760 logG= -0.691884 Density= 3.497195 ETOT(band)= -1.776345 trlgG= -2.477020 logG= -0.691884 TDE= -4.591343 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101347 tlogG= -0.589734 logG= -0.691081 Density= 3.497519 ETOT(band)= -1.775312 trlgG= -2.476498 logG= -0.691081 TDE= -4.591883 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101357 tlogG= -0.587307 logG= -0.688664 Density= 3.497617 ETOT(band)= -1.773649 trlgG= -2.472066 logG= -0.688664 TDE= -4.589947 37) Finished k-point 38 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101525 tlogG= -0.585249 logG= -0.686774 Density= 3.498277 ETOT(band)= -1.771704 trlgG= -2.467719 logG= -0.686774 TDE= -4.588019 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102249 tlogG= -0.578101 logG= -0.680350 Density= 3.499748 ETOT(band)= -1.765519 trlgG= -2.458425 logG= -0.680350 TDE= -4.586330 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101383 tlogG= -0.591344 logG= -0.692728 Density= 3.497575 ETOT(band)= -1.776304 trlgG= -2.479615 logG= -0.692728 TDE= -4.593399 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101315 tlogG= -0.587832 logG= -0.689147 Density= 3.497842 ETOT(band)= -1.773803 trlgG= -2.471027 logG= -0.689147 TDE= -4.588606 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102074 tlogG= -0.578772 logG= -0.680846 Density= 3.499363 ETOT(band)= -1.766349 trlgG= -2.459285 logG= -0.680846 TDE= -4.586385 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101576 tlogG= -0.583167 logG= -0.684743 Density= 3.498284 ETOT(band)= -1.770333 trlgG= -2.464697 logG= -0.684743 TDE= -4.587034 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101526 tlogG= -0.584962 logG= -0.686488 Density= 3.498118 ETOT(band)= -1.771627 trlgG= -2.468385 logG= -0.686488 TDE= -4.588843 logGD-logG0= -0.102714 tlogG= -0.574640 logG= -0.677354 Density= 3.500808 ETOT(band)= -1.762213 trlgG= -2.453351 logG= -0.677354 TDE= -4.585102 logGD-logG0= -0.101406 tlogG= -0.585466 logG= -0.686872 Density= 3.497814 ETOT(band)= -1.772274 trlgG= -2.468709 logG= -0.686872 TDE= -4.588541 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101543 tlogG= -0.585375 logG= -0.686918 Density= 3.498434 ETOT(band)= -1.771616 trlgG= -2.467259 logG= -0.686918 TDE= -4.587541 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101620 tlogG= -0.584760 logG= -0.686380 Density= 3.498443 ETOT(band)= -1.771171 trlgG= -2.467877 logG= -0.686380 TDE= -4.588705 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101254 tlogG= -0.590217 logG= -0.691471 Density= 3.497414 ETOT(band)= -1.775737 trlgG= -2.476610 logG= -0.691471 TDE= -4.591521 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101834 tlogG= -0.581495 logG= -0.683329 Density= 3.498902 ETOT(band)= -1.768613 trlgG= -2.462901 logG= -0.683329 TDE= -4.587148 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101744 tlogG= -0.584249 logG= -0.685992 Density= 3.498699 ETOT(band)= -1.770578 trlgG= -2.467739 logG= -0.685992 TDE= -4.589160 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102140 tlogG= -0.580253 logG= -0.682392 Density= 3.499577 ETOT(band)= -1.767102 trlgG= -2.461952 logG= -0.682392 TDE= -4.587678 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101264 tlogG= -0.586117 logG= -0.687381 Density= 3.497643 ETOT(band)= -1.772934 trlgG= -2.467429 logG= -0.687381 TDE= -4.586614 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101425 tlogG= -0.585469 logG= -0.686894 Density= 3.497931 ETOT(band)= -1.772196 trlgG= -2.468153 logG= -0.686894 TDE= -4.588056 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101252 tlogG= -0.587775 logG= -0.689028 Density= 3.497426 ETOT(band)= -1.774183 trlgG= -2.472129 logG= -0.689028 TDE= -4.589493 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101984 tlogG= -0.580901 logG= -0.682885 Density= 3.499210 ETOT(band)= -1.767904 trlgG= -2.462386 logG= -0.682885 TDE= -4.587324 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102340 tlogG= -0.577922 logG= -0.680262 Density= 3.500027 ETOT(band)= -1.765154 trlgG= -2.458027 logG= -0.680262 TDE= -4.586244 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101195 tlogG= -0.590346 logG= -0.691541 Density= 3.497204 ETOT(band)= -1.776047 trlgG= -2.476942 logG= -0.691541 TDE= -4.591615 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102526 tlogG= -0.577197 logG= -0.679722 Density= 3.500471 ETOT(band)= -1.764239 trlgG= -2.457293 logG= -0.679722 TDE= -4.586407 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101494 tlogG= -0.587498 logG= -0.688992 Density= 3.497983 ETOT(band)= -1.773398 trlgG= -2.472861 logG= -0.688992 TDE= -4.590708 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101238 tlogG= -0.588613 logG= -0.689851 Density= 3.497482 ETOT(band)= -1.774685 trlgG= -2.473144 logG= -0.689851 TDE= -4.589729 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101956 tlogG= -0.581877 logG= -0.683834 Density= 3.499261 ETOT(band)= -1.768490 trlgG= -2.463805 logG= -0.683834 TDE= -4.587836 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101056 tlogG= -0.590910 logG= -0.691966 Density= 3.496969 ETOT(band)= -1.776691 trlgG= -2.477287 logG= -0.691966 TDE= -4.591347 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101658 tlogG= -0.584425 logG= -0.686083 Density= 3.498392 ETOT(band)= -1.770990 trlgG= -2.468214 logG= -0.686083 TDE= -4.589298 logGD-logG0= -0.102952 tlogG= -0.573754 logG= -0.676706 Density= 3.501400 ETOT(band)= -1.761055 trlgG= -2.452225 logG= -0.676706 TDE= -4.585099 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101790 tlogG= -0.582194 logG= -0.683984 Density= 3.498705 ETOT(band)= -1.769211 trlgG= -2.464625 logG= -0.683984 TDE= -4.588059 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101398 tlogG= -0.589626 logG= -0.691025 Density= 3.497712 ETOT(band)= -1.775039 trlgG= -2.476152 logG= -0.691025 TDE= -4.591749 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101195 tlogG= -0.592048 logG= -0.693244 Density= 3.497173 ETOT(band)= -1.777173 trlgG= -2.480230 logG= -0.693244 TDE= -4.593176 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102432 tlogG= -0.577367 logG= -0.679799 Density= 3.500187 ETOT(band)= -1.764589 trlgG= -2.457652 logG= -0.679799 TDE= -4.586460 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101357 tlogG= -0.588074 logG= -0.689431 Density= 3.497697 ETOT(band)= -1.774079 trlgG= -2.473164 logG= -0.689431 TDE= -4.590342 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101497 tlogG= -0.585621 logG= -0.687118 Density= 3.498437 ETOT(band)= -1.771799 trlgG= -2.466507 logG= -0.687118 TDE= -4.586592 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101400 tlogG= -0.587461 logG= -0.688861 Density= 3.497943 ETOT(band)= -1.773440 trlgG= -2.471269 logG= -0.688861 TDE= -4.589214 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101330 tlogG= -0.585818 logG= -0.687148 Density= 3.497692 ETOT(band)= -1.772650 trlgG= -2.468471 logG= -0.687148 TDE= -4.587929 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.102161 tlogG= -0.578582 logG= -0.680743 Density= 3.499636 ETOT(band)= -1.765970 trlgG= -2.458892 logG= -0.680743 TDE= -4.586314 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101485 tlogG= -0.587040 logG= -0.688525 Density= 3.498094 ETOT(band)= -1.772991 trlgG= -2.471222 logG= -0.688525 TDE= -4.589625 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101848 tlogG= -0.582345 logG= -0.684194 Density= 3.499037 ETOT(band)= -1.769026 trlgG= -2.463921 logG= -0.684194 TDE= -4.587412 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101674 tlogG= -0.582700 logG= -0.684375 Density= 3.498462 ETOT(band)= -1.769810 trlgG= -2.464763 logG= -0.684375 TDE= -4.587612 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102481 tlogG= -0.575486 logG= -0.677967 Density= 3.500269 ETOT(band)= -1.763295 trlgG= -2.454654 logG= -0.677967 TDE= -4.585359 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101753 tlogG= -0.582780 logG= -0.684533 Density= 3.498879 ETOT(band)= -1.769492 trlgG= -2.463886 logG= -0.684533 TDE= -4.586910 logGD-logG0= -0.101607 tlogG= -0.585083 logG= -0.686689 Density= 3.498487 ETOT(band)= -1.771347 trlgG= -2.467590 logG= -0.686689 TDE= -4.588144 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101154 tlogG= -0.588187 logG= -0.689341 Density= 3.497283 ETOT(band)= -1.774622 trlgG= -2.471677 logG= -0.689341 TDE= -4.588614 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.62948104346 eV TrLogG= -1610.73650113970 eV Ratio to renormalize= 1.000443054431 rho-rho_expected=-0.074400181124 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 9) Finished k-point number 10 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 0) Finished k-point number 1 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= 0.834777155531160 0.831910001616161 0.835194199252146 0.831822749904648 0.835360902562567 0.831745017406483 0.835027932461664 0.831799950315233 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101233 tlogG= -0.588627 logG= -0.689860 Density= 3.497470 ETOT(band)= -1.774704 trlgG= -2.473172 logG= -0.689860 TDE= -4.589739 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101829 tlogG= -0.581509 logG= -0.683338 Density= 3.498890 ETOT(band)= -1.768632 trlgG= -2.462927 logG= -0.683338 TDE= -4.587156 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101395 tlogG= -0.587475 logG= -0.688870 Density= 3.497932 ETOT(band)= -1.773459 trlgG= -2.471296 logG= -0.688870 TDE= -4.589224 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101378 tlogG= -0.591359 logG= -0.692737 Density= 3.497563 ETOT(band)= -1.776323 trlgG= -2.479647 logG= -0.692737 TDE= -4.593411 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101352 tlogG= -0.587321 logG= -0.688673 Density= 3.497605 ETOT(band)= -1.773668 trlgG= -2.472094 logG= -0.688673 TDE= -4.589957 37) Finished k-point 38 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101420 tlogG= -0.585483 logG= -0.686903 Density= 3.497919 ETOT(band)= -1.772215 trlgG= -2.468180 logG= -0.686903 TDE= -4.588065 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102244 tlogG= -0.578115 logG= -0.680359 Density= 3.499737 ETOT(band)= -1.765537 trlgG= -2.458452 logG= -0.680359 TDE= -4.586339 logGD-logG0= -0.101615 tlogG= -0.584774 logG= -0.686389 Density= 3.498431 ETOT(band)= -1.771189 trlgG= -2.467904 logG= -0.686389 TDE= -4.588714 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102427 tlogG= -0.577381 logG= -0.679808 Density= 3.500175 ETOT(band)= -1.764608 trlgG= -2.457680 logG= -0.679808 TDE= -4.586470 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101310 tlogG= -0.587846 logG= -0.689156 Density= 3.497831 ETOT(band)= -1.773821 trlgG= -2.471056 logG= -0.689156 TDE= -4.588617 logGD-logG0= -0.101034 tlogG= -0.592729 logG= -0.693763 Density= 3.496869 ETOT(band)= -1.777977 trlgG= -2.480981 logG= -0.693763 TDE= -4.593163 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102069 tlogG= -0.578786 logG= -0.680854 Density= 3.499351 ETOT(band)= -1.766368 trlgG= -2.459311 logG= -0.680854 TDE= -4.586393 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101401 tlogG= -0.585480 logG= -0.686881 Density= 3.497803 ETOT(band)= -1.772293 trlgG= -2.468737 logG= -0.686881 TDE= -4.588550 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101602 tlogG= -0.585097 logG= -0.686698 Density= 3.498475 ETOT(band)= -1.771366 trlgG= -2.467617 logG= -0.686698 TDE= -4.588153 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101979 tlogG= -0.580915 logG= -0.682894 Density= 3.499199 ETOT(band)= -1.767923 trlgG= -2.462413 logG= -0.682894 TDE= -4.587334 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101119 tlogG= -0.590774 logG= -0.691893 Density= 3.497184 ETOT(band)= -1.776364 trlgG= -2.477049 logG= -0.691893 TDE= -4.591354 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101352 tlogG= -0.588088 logG= -0.689440 Density= 3.497686 ETOT(band)= -1.774098 trlgG= -2.473192 logG= -0.689440 TDE= -4.590352 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101342 tlogG= -0.589749 logG= -0.691091 Density= 3.497508 ETOT(band)= -1.775331 trlgG= -2.476528 logG= -0.691091 TDE= -4.591895 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101492 tlogG= -0.585634 logG= -0.687127 logGD-logG0= -0.102135 tlogG= -0.580267 logG= -0.682401 Density= 3.498426 ETOT(band)= -1.771818 trlgG= -2.466535 logG= -0.687127 TDE= -4.586602 Density= 3.499565 ETOT(band)= -1.767121 trlgG= -2.461979 logG= -0.682401 TDE= -4.587687 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101393 tlogG= -0.589641 logG= -0.691034 Density= 3.497701 ETOT(band)= -1.775058 trlgG= -2.476182 logG= -0.691034 TDE= -4.591760 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101538 tlogG= -0.585389 logG= -0.686927 Density= 3.498422 ETOT(band)= -1.771635 trlgG= -2.467285 logG= -0.686927 TDE= -4.587549 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101259 tlogG= -0.586131 logG= -0.687390 Density= 3.497631 ETOT(band)= -1.772953 trlgG= -2.467457 logG= -0.687390 TDE= -4.586624 logGD-logG0= -0.101520 tlogG= -0.585263 logG= -0.686783 Density= 3.498265 ETOT(band)= -1.771722 trlgG= -2.467746 logG= -0.686783 TDE= -4.588028 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101571 tlogG= -0.583181 logG= -0.684752 Density= 3.498272 ETOT(band)= -1.770351 trlgG= -2.464723 logG= -0.684752 TDE= -4.587042 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101669 tlogG= -0.582714 logG= -0.684384 Density= 3.498451 ETOT(band)= -1.769829 trlgG= -2.464791 logG= -0.684384 TDE= -4.587622 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101521 tlogG= -0.584976 logG= -0.686497 Density= 3.498106 ETOT(band)= -1.771646 trlgG= -2.468412 logG= -0.686497 TDE= -4.588853 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102156 tlogG= -0.578596 logG= -0.680752 Density= 3.499624 ETOT(band)= -1.765988 trlgG= -2.458918 logG= -0.680752 TDE= -4.586322 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101249 tlogG= -0.590231 logG= -0.691481 Density= 3.497403 ETOT(band)= -1.775756 trlgG= -2.476639 logG= -0.691481 TDE= -4.591532 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102335 tlogG= -0.577936 logG= -0.680271 Density= 3.500016 ETOT(band)= -1.765173 trlgG= -2.458054 logG= -0.680271 TDE= -4.586253 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101325 tlogG= -0.585832 logG= -0.687157 Density= 3.497681 ETOT(band)= -1.772669 trlgG= -2.468499 logG= -0.687157 TDE= -4.587938 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101785 tlogG= -0.582208 logG= -0.683993 Density= 3.498693 ETOT(band)= -1.769229 trlgG= -2.464653 logG= -0.683993 TDE= -4.588069 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102476 tlogG= -0.575500 logG= -0.677976 Density= 3.500257 ETOT(band)= -1.763314 trlgG= -2.454680 logG= -0.677976 TDE= -4.585367 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101748 tlogG= -0.582794 logG= -0.684542 Density= 3.498867 ETOT(band)= -1.769511 trlgG= -2.463912 logG= -0.684542 TDE= -4.586918 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101190 tlogG= -0.592063 logG= -0.693253 Density= 3.497162 ETOT(band)= -1.777192 trlgG= -2.480260 logG= -0.693253 TDE= -4.593187 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101247 tlogG= -0.587789 logG= -0.689037 Density= 3.497415 ETOT(band)= -1.774202 trlgG= -2.472157 logG= -0.689037 TDE= -4.589503 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101653 tlogG= -0.584439 logG= -0.686092 Density= 3.498380 ETOT(band)= -1.771009 trlgG= -2.468242 logG= -0.686092 TDE= -4.589307 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101951 tlogG= -0.581891 logG= -0.683843 Density= 3.499249 ETOT(band)= -1.768509 trlgG= -2.463832 logG= -0.683843 TDE= -4.587845 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102947 tlogG= -0.573768 logG= -0.676715 Density= 3.501388 ETOT(band)= -1.761074 trlgG= -2.452253 logG= -0.676715 TDE= -4.585108 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101149 tlogG= -0.588201 logG= -0.689349 Density= 3.497272 ETOT(band)= -1.774641 trlgG= -2.471705 logG= -0.689349 TDE= -4.588624 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101051 tlogG= -0.590924 logG= -0.691975 Density= 3.496958 ETOT(band)= -1.776711 trlgG= -2.477317 logG= -0.691975 TDE= -4.591358 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101190 tlogG= -0.590360 logG= -0.691551 Density= 3.497193 ETOT(band)= -1.776066 trlgG= -2.476972 logG= -0.691551 TDE= -4.591626 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101480 tlogG= -0.587054 logG= -0.688534 Density= 3.498083 ETOT(band)= -1.773010 trlgG= -2.471249 logG= -0.688534 TDE= -4.589634 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101843 tlogG= -0.582359 logG= -0.684202 Density= 3.499026 ETOT(band)= -1.769045 trlgG= -2.463948 logG= -0.684202 TDE= -4.587422 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102520 tlogG= -0.577210 logG= -0.679731 Density= 3.500460 ETOT(band)= -1.764258 trlgG= -2.457321 logG= -0.679731 TDE= -4.586416 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101739 tlogG= -0.584263 logG= -0.686001 Density= 3.498687 ETOT(band)= -1.770597 trlgG= -2.467767 logG= -0.686001 TDE= -4.589170 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101489 tlogG= -0.587513 logG= -0.689001 Density= 3.497971 ETOT(band)= -1.773417 trlgG= -2.472889 logG= -0.689001 TDE= -4.590717 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102708 tlogG= -0.574654 logG= -0.677363 Density= 3.500796 ETOT(band)= -1.762232 trlgG= -2.453378 logG= -0.677363 TDE= -4.585111 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1156.64181141819 eV TrLogG= -1610.74860762653 eV Ratio to renormalize= 1.000446317699 rho-rho_expected=-0.074947922892 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 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= 105 46) Finished k-point number 47 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 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 0) Finished k-point number 1 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834776510727666 0.831908333637689 0.835193476597217 0.831821115807840 0.835360265935353 0.831743343466240 0.835027270619762 0.831798284644250 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101842 tlogG= -0.582362 logG= -0.684204 Density= 3.499024 ETOT(band)= -1.769048 trlgG= -2.463953 logG= -0.684204 TDE= -4.587423 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101351 tlogG= -0.588091 logG= -0.689443 Density= 3.497684 ETOT(band)= -1.774101 trlgG= -2.473197 logG= -0.689443 TDE= -4.590353 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101571 tlogG= -0.583184 logG= -0.684754 Density= 3.498271 ETOT(band)= -1.770354 trlgG= -2.464728 logG= -0.684754 TDE= -4.587043 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101652 tlogG= -0.584442 logG= -0.686094 Density= 3.498379 ETOT(band)= -1.771012 trlgG= -2.468247 logG= -0.686094 TDE= -4.589309 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101829 tlogG= -0.581511 logG= -0.683340 Density= 3.498889 ETOT(band)= -1.768635 trlgG= -2.462932 logG= -0.683340 TDE= -4.587158 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.102134 tlogG= -0.580270 logG= -0.682404 Density= 3.499564 ETOT(band)= -1.767124 trlgG= -2.461985 logG= -0.682404 TDE= -4.587689 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101351 tlogG= -0.587324 logG= -0.688675 Density= 3.497604 ETOT(band)= -1.773671 trlgG= -2.472099 logG= -0.688675 TDE= -4.589958 37) Finished k-point 38 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102068 tlogG= -0.578789 logG= -0.680857 Density= 3.499350 ETOT(band)= -1.766371 trlgG= -2.459316 logG= -0.680857 TDE= -4.586394 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101341 tlogG= -0.589752 logG= -0.691093 Density= 3.497506 ETOT(band)= -1.775334 trlgG= -2.476533 logG= -0.691093 TDE= -4.591897 logGD-logG0= -0.101400 tlogG= -0.585483 logG= -0.686883 Density= 3.497801 ETOT(band)= -1.772296 trlgG= -2.468742 logG= -0.686883 TDE= -4.588552 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101033 tlogG= -0.592732 logG= -0.693765 Density= 3.496867 ETOT(band)= -1.777980 trlgG= -2.480987 logG= -0.693765 TDE= -4.593165 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101249 tlogG= -0.590234 logG= -0.691483 Density= 3.497402 ETOT(band)= -1.775759 trlgG= -2.476645 logG= -0.691483 TDE= -4.591534 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101324 tlogG= -0.585835 logG= -0.687159 Density= 3.497680 ETOT(band)= -1.772672 trlgG= -2.468504 logG= -0.687159 TDE= -4.587940 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101232 tlogG= -0.588630 logG= -0.689863 Density= 3.497469 ETOT(band)= -1.774707 trlgG= -2.473178 logG= -0.689863 TDE= -4.589741 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101420 tlogG= -0.585486 logG= -0.686906 Density= 3.497918 ETOT(band)= -1.772218 trlgG= -2.468185 logG= -0.686906 TDE= -4.588066 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101951 tlogG= -0.581894 logG= -0.683845 Density= 3.499248 ETOT(band)= -1.768512 trlgG= -2.463838 logG= -0.683845 TDE= -4.587847 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101520 tlogG= -0.585266 logG= -0.686785 Density= 3.498264 ETOT(band)= -1.771725 trlgG= -2.467751 logG= -0.686785 TDE= -4.588030 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101190 tlogG= -0.590363 logG= -0.691553 Density= 3.497191 ETOT(band)= -1.776069 trlgG= -2.476977 logG= -0.691553 TDE= -4.591628 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101118 tlogG= -0.590777 logG= -0.691896 Density= 3.497182 ETOT(band)= -1.776367 trlgG= -2.477055 logG= -0.691896 TDE= -4.591356 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101378 tlogG= -0.591362 logG= -0.692740 Density= 3.497562 ETOT(band)= -1.776326 trlgG= -2.479652 logG= -0.692740 TDE= -4.593413 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101309 tlogG= -0.587849 logG= -0.689158 Density= 3.497829 ETOT(band)= -1.773824 trlgG= -2.471061 logG= -0.689158 TDE= -4.588619 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101190 tlogG= -0.592066 logG= -0.693255 Density= 3.497160 ETOT(band)= -1.777195 trlgG= -2.480266 logG= -0.693255 TDE= -4.593189 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102244 tlogG= -0.578118 logG= -0.680362 Density= 3.499736 ETOT(band)= -1.765540 trlgG= -2.458457 logG= -0.680362 TDE= -4.586341 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101394 tlogG= -0.587478 logG= -0.688872 Density= 3.497930 ETOT(band)= -1.773462 trlgG= -2.471302 logG= -0.688872 TDE= -4.589226 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101614 tlogG= -0.584777 logG= -0.686391 Density= 3.498430 ETOT(band)= -1.771192 trlgG= -2.467909 logG= -0.686391 TDE= -4.588716 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101148 tlogG= -0.588204 logG= -0.689352 Density= 3.497270 ETOT(band)= -1.774644 trlgG= -2.471711 logG= -0.689352 TDE= -4.588626 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101978 tlogG= -0.580918 logG= -0.682896 Density= 3.499197 ETOT(band)= -1.767926 trlgG= -2.462419 logG= -0.682896 TDE= -4.587335 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101492 tlogG= -0.585637 logG= -0.687129 Density= 3.498424 ETOT(band)= -1.771821 trlgG= -2.466540 logG= -0.687129 TDE= -4.586604 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101247 tlogG= -0.587792 logG= -0.689039 Density= 3.497413 ETOT(band)= -1.774205 trlgG= -2.472162 logG= -0.689039 TDE= -4.589504 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101488 tlogG= -0.587516 logG= -0.689004 Density= 3.497970 ETOT(band)= -1.773420 trlgG= -2.472894 logG= -0.689004 TDE= -4.590719 logGD-logG0= -0.101747 tlogG= -0.582797 logG= -0.684544 Density= 3.498866 ETOT(band)= -1.769514 trlgG= -2.463917 logG= -0.684544 TDE= -4.586920 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102947 tlogG= -0.573771 logG= -0.676717 Density= 3.501387 ETOT(band)= -1.761077 trlgG= -2.452258 logG= -0.676717 TDE= -4.585110 logGD-logG0= -0.101258 tlogG= -0.586134 logG= -0.687392 Density= 3.497630 ETOT(band)= -1.772956 trlgG= -2.467462 logG= -0.687392 TDE= -4.586626 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.101479 tlogG= -0.587057 logG= -0.688536 Density= 3.498082 ETOT(band)= -1.773013 trlgG= -2.471255 logG= -0.688536 TDE= -4.589636 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101784 tlogG= -0.582211 logG= -0.683995 Density= 3.498692 ETOT(band)= -1.769232 trlgG= -2.464658 logG= -0.683995 TDE= -4.588071 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101537 tlogG= -0.585392 logG= -0.686929 Density= 3.498421 ETOT(band)= -1.771638 trlgG= -2.467290 logG= -0.686929 TDE= -4.587551 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102476 tlogG= -0.575503 logG= -0.677978 Density= 3.500256 ETOT(band)= -1.763317 trlgG= -2.454685 logG= -0.677978 TDE= -4.585369 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101601 tlogG= -0.585099 logG= -0.686700 Density= 3.498474 ETOT(band)= -1.771369 trlgG= -2.467622 logG= -0.686700 TDE= -4.588155 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102426 tlogG= -0.577384 logG= -0.679810 Density= 3.500174 ETOT(band)= -1.764611 trlgG= -2.457685 logG= -0.679810 TDE= -4.586472 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101393 tlogG= -0.589644 logG= -0.691036 Density= 3.497699 ETOT(band)= -1.775061 trlgG= -2.476188 logG= -0.691036 TDE= -4.591762 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101738 tlogG= -0.584266 logG= -0.686004 Density= 3.498686 ETOT(band)= -1.770600 trlgG= -2.467772 logG= -0.686004 TDE= -4.589171 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101520 tlogG= -0.584979 logG= -0.686500 Density= 3.498105 ETOT(band)= -1.771649 trlgG= -2.468417 logG= -0.686500 TDE= -4.588854 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101669 tlogG= -0.582717 logG= -0.684386 Density= 3.498450 ETOT(band)= -1.769832 trlgG= -2.464796 logG= -0.684386 TDE= -4.587623 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102708 tlogG= -0.574657 logG= -0.677365 Density= 3.500795 ETOT(band)= -1.762235 trlgG= -2.453383 logG= -0.677365 TDE= -4.585113 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.102155 tlogG= -0.578599 logG= -0.680754 Density= 3.499623 ETOT(band)= -1.765991 trlgG= -2.458923 logG= -0.680754 TDE= -4.586324 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102334 tlogG= -0.577939 logG= -0.680273 Density= 3.500014 ETOT(band)= -1.765176 trlgG= -2.458060 logG= -0.680273 TDE= -4.586255 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102520 tlogG= -0.577213 logG= -0.679733 Density= 3.500458 ETOT(band)= -1.764261 trlgG= -2.457326 logG= -0.679733 TDE= -4.586418 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101050 tlogG= -0.590927 logG= -0.691977 Density= 3.496956 ETOT(band)= -1.776714 trlgG= -2.477322 logG= -0.691977 TDE= -4.591360 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 Sum of eigenvalues= -1156.64375348351 eV TrLogG= -1610.75127874238 eV Ratio to renormalize= 1.000446730656 rho-rho_expected=-0.075017237725 nargs= 1 argi=dmft2.def 25) Finished k-point number 26 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 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 12) Finished k-point number 13 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 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= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834774950481570 0.831904422763401 0.835191776079902 0.831817269462053 0.835358730700154 0.831739419680335 0.835025675625595 0.831794378781244 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101349 tlogG= -0.587485 logG= -0.688834 Density= 3.498053 ETOT(band)= -1.773372 trlgG= -2.471171 logG= -0.688834 TDE= -4.589232 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101332 tlogG= -0.591369 logG= -0.692701 Density= 3.497682 ETOT(band)= -1.776237 trlgG= -2.479524 logG= -0.692701 TDE= -4.593420 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101005 tlogG= -0.590934 logG= -0.691939 Density= 3.497078 ETOT(band)= -1.776624 trlgG= -2.477193 logG= -0.691939 TDE= -4.591367 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101305 tlogG= -0.587331 logG= -0.688637 Density= 3.497724 ETOT(band)= -1.773582 trlgG= -2.471970 logG= -0.688637 TDE= -4.589965 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101475 tlogG= -0.584987 logG= -0.686461 Density= 3.498225 ETOT(band)= -1.771560 trlgG= -2.468289 logG= -0.686461 TDE= -4.588861 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102088 tlogG= -0.580277 logG= -0.682365 Density= 3.499683 ETOT(band)= -1.767037 trlgG= -2.461857 logG= -0.682365 TDE= -4.587695 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101212 tlogG= -0.586141 logG= -0.687353 Density= 3.497752 ETOT(band)= -1.772866 trlgG= -2.467333 logG= -0.687353 TDE= -4.586632 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101525 tlogG= -0.583191 logG= -0.684716 Density= 3.498391 ETOT(band)= -1.770265 trlgG= -2.464599 logG= -0.684716 TDE= -4.587049 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102474 tlogG= -0.577221 logG= -0.679695 Density= 3.500577 ETOT(band)= -1.764174 trlgG= -2.457199 logG= -0.679695 TDE= -4.586424 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101295 tlogG= -0.589759 logG= -0.691055 Density= 3.497627 ETOT(band)= -1.775245 trlgG= -2.476405 logG= -0.691055 TDE= -4.591903 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101263 tlogG= -0.587856 logG= -0.689120 Density= 3.497954 ETOT(band)= -1.773732 trlgG= -2.470930 logG= -0.689120 TDE= -4.588626 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101144 tlogG= -0.592073 logG= -0.693217 Density= 3.497281 ETOT(band)= -1.777106 trlgG= -2.480138 logG= -0.693217 TDE= -4.593196 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101073 tlogG= -0.590785 logG= -0.691858 Density= 3.497305 ETOT(band)= -1.776276 trlgG= -2.476925 logG= -0.691858 TDE= -4.591362 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101606 tlogG= -0.584450 logG= -0.686056 Density= 3.498499 ETOT(band)= -1.770924 trlgG= -2.468119 logG= -0.686056 TDE= -4.589315 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101932 tlogG= -0.580926 logG= -0.682858 Density= 3.499317 ETOT(band)= -1.767838 trlgG= -2.462291 logG= -0.682858 TDE= -4.587342 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101374 tlogG= -0.585494 logG= -0.686867 Density= 3.498039 ETOT(band)= -1.772128 trlgG= -2.468056 logG= -0.686867 TDE= -4.588073 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101474 tlogG= -0.585273 logG= -0.686747 Density= 3.498387 ETOT(band)= -1.771635 trlgG= -2.467620 logG= -0.686747 TDE= -4.588036 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101692 tlogG= -0.584273 logG= -0.685965 Density= 3.498806 ETOT(band)= -1.770511 trlgG= -2.467643 logG= -0.685965 TDE= -4.589178 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101201 tlogG= -0.587800 logG= -0.689001 Density= 3.497534 ETOT(band)= -1.774115 trlgG= -2.472033 logG= -0.689001 TDE= -4.589511 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101783 tlogG= -0.581519 logG= -0.683302 Density= 3.499009 ETOT(band)= -1.768546 trlgG= -2.462803 logG= -0.683302 TDE= -4.587164 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101144 tlogG= -0.590371 logG= -0.691515 Density= 3.497312 ETOT(band)= -1.775980 trlgG= -2.476849 logG= -0.691515 TDE= -4.591634 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100988 tlogG= -0.592739 logG= -0.693727 Density= 3.496989 ETOT(band)= -1.777889 trlgG= -2.480858 logG= -0.693727 TDE= -4.593172 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102198 tlogG= -0.578125 logG= -0.680323 Density= 3.499854 ETOT(band)= -1.765454 trlgG= -2.458330 logG= -0.680323 TDE= -4.586347 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101442 tlogG= -0.587523 logG= -0.688965 Density= 3.498091 ETOT(band)= -1.773331 trlgG= -2.472766 logG= -0.688965 TDE= -4.590725 logGD-logG0= -0.101354 tlogG= -0.585491 logG= -0.686845 Density= 3.497922 ETOT(band)= -1.772207 trlgG= -2.468613 logG= -0.686845 TDE= -4.588558 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101434 tlogG= -0.587064 logG= -0.688498 Density= 3.498203 ETOT(band)= -1.772923 trlgG= -2.471126 logG= -0.688498 TDE= -4.589643 logGD-logG0= -0.101905 tlogG= -0.581902 logG= -0.683807 Density= 3.499369 ETOT(band)= -1.768423 trlgG= -2.463709 logG= -0.683807 TDE= -4.587853 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102022 tlogG= -0.578796 logG= -0.680818 Density= 3.499469 ETOT(band)= -1.766284 trlgG= -2.459188 logG= -0.680818 TDE= -4.586401 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101492 tlogG= -0.585400 logG= -0.686891 Density= 3.498545 ETOT(band)= -1.771547 trlgG= -2.467159 logG= -0.686891 TDE= -4.587557 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101187 tlogG= -0.588638 logG= -0.689825 Density= 3.497591 ETOT(band)= -1.774617 trlgG= -2.473048 logG= -0.689825 TDE= -4.589748 logGD-logG0= -0.101447 tlogG= -0.585645 logG= -0.687091 Density= 3.498550 ETOT(band)= -1.771728 trlgG= -2.466408 logG= -0.687091 TDE= -4.586610 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101278 tlogG= -0.585842 logG= -0.687121 Density= 3.497801 ETOT(band)= -1.772582 trlgG= -2.468375 logG= -0.687121 TDE= -4.587947 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.102900 tlogG= -0.573778 logG= -0.676679 Density= 3.501503 ETOT(band)= -1.760991 trlgG= -2.452132 logG= -0.676679 TDE= -4.585117 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101555 tlogG= -0.585107 logG= -0.686662 Density= 3.498596 ETOT(band)= -1.771278 trlgG= -2.467492 logG= -0.686662 TDE= -4.588161 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101347 tlogG= -0.589651 logG= -0.690998 Density= 3.497820 ETOT(band)= -1.774972 trlgG= -2.476059 logG= -0.690998 TDE= -4.591769 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102288 tlogG= -0.577946 logG= -0.680234 Density= 3.500133 ETOT(band)= -1.765088 trlgG= -2.457932 logG= -0.680234 TDE= -4.586262 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102380 tlogG= -0.577391 logG= -0.679771 Density= 3.500291 ETOT(band)= -1.764525 trlgG= -2.457559 logG= -0.679771 TDE= -4.586478 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101702 tlogG= -0.582804 logG= -0.684506 Density= 3.498990 ETOT(band)= -1.769423 trlgG= -2.463786 logG= -0.684506 TDE= -4.586926 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101102 tlogG= -0.588211 logG= -0.689313 Density= 3.497392 ETOT(band)= -1.774554 trlgG= -2.471582 logG= -0.689313 TDE= -4.588633 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101568 tlogG= -0.584785 logG= -0.686353 Density= 3.498552 ETOT(band)= -1.771103 trlgG= -2.467780 logG= -0.686353 TDE= -4.588722 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101306 tlogG= -0.588099 logG= -0.689404 Density= 3.497806 ETOT(band)= -1.774011 trlgG= -2.473068 logG= -0.689404 TDE= -4.590360 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101738 tlogG= -0.582218 logG= -0.683956 Density= 3.498811 ETOT(band)= -1.769144 trlgG= -2.464530 logG= -0.683956 TDE= -4.588077 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101797 tlogG= -0.582370 logG= -0.684166 Density= 3.499146 ETOT(band)= -1.768958 trlgG= -2.463824 logG= -0.684166 TDE= -4.587430 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102429 tlogG= -0.575510 logG= -0.677940 Density= 3.500374 ETOT(band)= -1.763230 trlgG= -2.454558 logG= -0.677940 TDE= -4.585375 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101203 tlogG= -0.590242 logG= -0.691444 Density= 3.497523 ETOT(band)= -1.775669 trlgG= -2.476515 logG= -0.691444 TDE= -4.591541 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102109 tlogG= -0.578606 logG= -0.680716 Density= 3.499743 ETOT(band)= -1.765903 trlgG= -2.458794 logG= -0.680716 TDE= -4.586330 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101623 tlogG= -0.582725 logG= -0.684347 Density= 3.498570 ETOT(band)= -1.769743 trlgG= -2.464668 logG= -0.684347 TDE= -4.587630 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102662 tlogG= -0.574665 logG= -0.677326 Density= 3.500912 ETOT(band)= -1.762148 trlgG= -2.453257 logG= -0.677326 TDE= -4.585119 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 Sum of eigenvalues= -1156.58556474916 eV TrLogG= -1610.73044184543 eV Ratio to renormalize= 1.000412203778 rho-rho_expected=-0.069221701310 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834767809271997 0.831898172499646 0.835184715277108 0.831810976061407 0.835351640487532 0.831733142908871 0.835018554598627 0.831788110378813 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101208 tlogG= -0.586142 logG= -0.687351 Density= 3.497742 ETOT(band)= -1.772855 trlgG= -2.467318 logG= -0.687351 TDE= -4.586612 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101199 tlogG= -0.590243 logG= -0.691442 Density= 3.497513 ETOT(band)= -1.775659 trlgG= -2.476502 logG= -0.691442 TDE= -4.591522 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100984 tlogG= -0.592741 logG= -0.693724 Density= 3.496979 ETOT(band)= -1.777879 trlgG= -2.480844 logG= -0.693724 TDE= -4.593153 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102896 tlogG= -0.573780 logG= -0.676676 Density= 3.501493 ETOT(band)= -1.760981 trlgG= -2.452118 logG= -0.676676 TDE= -4.585098 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101928 tlogG= -0.580927 logG= -0.682855 Density= 3.499307 ETOT(band)= -1.767827 trlgG= -2.462276 logG= -0.682855 TDE= -4.587322 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101274 tlogG= -0.585844 logG= -0.687118 Density= 3.497791 ETOT(band)= -1.772572 trlgG= -2.468360 logG= -0.687118 TDE= -4.587927 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101328 tlogG= -0.591371 logG= -0.692699 Density= 3.497672 ETOT(band)= -1.776227 trlgG= -2.479512 logG= -0.692699 TDE= -4.593403 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=133 logGD-logG0= -0.101291 tlogG= -0.589761 logG= -0.691052 Density= 3.497617 ETOT(band)= -1.775234 trlgG= -2.476393 logG= -0.691052 TDE= -4.591885 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101370 tlogG= -0.585495 logG= -0.686865 Density= 3.498029 ETOT(band)= -1.772117 trlgG= -2.468041 logG= -0.686865 TDE= -4.588052 logGD-logG0= -0.101259 tlogG= -0.587857 logG= -0.689117 Density= 3.497944 ETOT(band)= -1.773721 trlgG= -2.470916 logG= -0.689117 TDE= -4.588607 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101619 tlogG= -0.582726 logG= -0.684344 Density= 3.498560 ETOT(band)= -1.769733 trlgG= -2.464653 logG= -0.684344 TDE= -4.587610 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101001 tlogG= -0.590935 logG= -0.691936 Density= 3.497068 ETOT(band)= -1.776613 trlgG= -2.477179 logG= -0.691936 TDE= -4.591348 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101301 tlogG= -0.587333 logG= -0.688634 Density= 3.497715 ETOT(band)= -1.773572 trlgG= -2.471956 logG= -0.688634 TDE= -4.589945 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101183 tlogG= -0.588639 logG= -0.689822 Density= 3.497581 ETOT(band)= -1.774606 trlgG= -2.473034 logG= -0.689822 TDE= -4.589728 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102193 tlogG= -0.578127 logG= -0.680320 Density= 3.499844 ETOT(band)= -1.765443 trlgG= -2.458316 logG= -0.680320 TDE= -4.586328 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102470 tlogG= -0.577222 logG= -0.679692 Density= 3.500567 ETOT(band)= -1.764164 trlgG= -2.457185 logG= -0.679692 TDE= -4.586405 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102018 tlogG= -0.578797 logG= -0.680815 Density= 3.499459 ETOT(band)= -1.766273 trlgG= -2.459172 logG= -0.680815 TDE= -4.586380 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101564 tlogG= -0.584786 logG= -0.686350 Density= 3.498542 ETOT(band)= -1.771092 trlgG= -2.467765 logG= -0.686350 TDE= -4.588702 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101069 tlogG= -0.590786 logG= -0.691855 Density= 3.497295 ETOT(band)= -1.776266 trlgG= -2.476911 logG= -0.691855 TDE= -4.591344 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101779 tlogG= -0.581520 logG= -0.683299 Density= 3.498999 ETOT(band)= -1.768535 trlgG= -2.462788 logG= -0.683299 TDE= -4.587143 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101430 tlogG= -0.587066 logG= -0.688495 Density= 3.498193 ETOT(band)= -1.772913 trlgG= -2.471111 logG= -0.688495 TDE= -4.589623 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101197 tlogG= -0.587801 logG= -0.688998 Density= 3.497524 ETOT(band)= -1.774104 trlgG= -2.472018 logG= -0.688998 TDE= -4.589491 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101343 tlogG= -0.589653 logG= -0.690995 Density= 3.497810 ETOT(band)= -1.774961 trlgG= -2.476047 logG= -0.690995 TDE= -4.591751 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101734 tlogG= -0.582220 logG= -0.683954 Density= 3.498801 ETOT(band)= -1.769134 trlgG= -2.464515 logG= -0.683954 TDE= -4.588057 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101470 tlogG= -0.584988 logG= -0.686459 Density= 3.498216 ETOT(band)= -1.771550 trlgG= -2.468274 logG= -0.686459 TDE= -4.588841 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101488 tlogG= -0.585401 logG= -0.686888 Density= 3.498535 ETOT(band)= -1.771536 trlgG= -2.467144 logG= -0.686888 TDE= -4.587537 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101551 tlogG= -0.585108 logG= -0.686659 Density= 3.498586 ETOT(band)= -1.771268 trlgG= -2.467477 logG= -0.686659 TDE= -4.588140 logGD-logG0= -0.101438 tlogG= -0.587524 logG= -0.688963 Density= 3.498081 ETOT(band)= -1.773320 trlgG= -2.472751 logG= -0.688963 TDE= -4.590706 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102084 tlogG= -0.580278 logG= -0.682362 Density= 3.499673 ETOT(band)= -1.767026 trlgG= -2.461843 logG= -0.682362 TDE= -4.587675 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101470 tlogG= -0.585274 logG= -0.686744 Density= 3.498377 ETOT(band)= -1.771624 trlgG= -2.467605 logG= -0.686744 TDE= -4.588016 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101602 tlogG= -0.584451 logG= -0.686053 Density= 3.498489 ETOT(band)= -1.770913 trlgG= -2.468104 logG= -0.686053 TDE= -4.589296 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101521 tlogG= -0.583192 logG= -0.684713 Density= 3.498381 ETOT(band)= -1.770254 trlgG= -2.464583 logG= -0.684713 TDE= -4.587029 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101793 tlogG= -0.582371 logG= -0.684164 Density= 3.499137 ETOT(band)= -1.768947 trlgG= -2.463809 logG= -0.684164 TDE= -4.587410 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102376 tlogG= -0.577393 logG= -0.679769 Density= 3.500281 ETOT(band)= -1.764514 trlgG= -2.457545 logG= -0.679769 TDE= -4.586459 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101345 tlogG= -0.587486 logG= -0.688831 Density= 3.498043 ETOT(band)= -1.773361 trlgG= -2.471157 logG= -0.688831 TDE= -4.589213 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101688 tlogG= -0.584274 logG= -0.685962 Density= 3.498796 ETOT(band)= -1.770500 trlgG= -2.467629 logG= -0.685962 TDE= -4.589158 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101901 tlogG= -0.581903 logG= -0.683804 Density= 3.499359 ETOT(band)= -1.768413 trlgG= -2.463694 logG= -0.683804 TDE= -4.587833 logGD-logG0= -0.101350 tlogG= -0.585492 logG= -0.686842 Density= 3.497912 ETOT(band)= -1.772196 trlgG= -2.468598 logG= -0.686842 TDE= -4.588538 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101140 tlogG= -0.592075 logG= -0.693214 Density= 3.497271 ETOT(band)= -1.777095 trlgG= -2.480125 logG= -0.693214 TDE= -4.593178 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102284 tlogG= -0.577947 logG= -0.680232 Density= 3.500123 ETOT(band)= -1.765078 trlgG= -2.457918 logG= -0.680232 TDE= -4.586243 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102425 tlogG= -0.575512 logG= -0.677937 Density= 3.500364 ETOT(band)= -1.763219 trlgG= -2.454542 logG= -0.677937 TDE= -4.585354 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101442 tlogG= -0.585646 logG= -0.687088 Density= 3.498540 ETOT(band)= -1.771717 trlgG= -2.466392 logG= -0.687088 TDE= -4.586590 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101140 tlogG= -0.590372 logG= -0.691512 Density= 3.497302 ETOT(band)= -1.775970 trlgG= -2.476835 logG= -0.691512 TDE= -4.591616 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101698 tlogG= -0.582805 logG= -0.684503 Density= 3.498980 ETOT(band)= -1.769412 trlgG= -2.463770 logG= -0.684503 TDE= -4.586905 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101098 tlogG= -0.588212 logG= -0.689310 Density= 3.497382 ETOT(band)= -1.774544 trlgG= -2.471567 logG= -0.689310 TDE= -4.588613 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101301 tlogG= -0.588100 logG= -0.689401 Density= 3.497796 ETOT(band)= -1.774001 trlgG= -2.473053 logG= -0.689401 TDE= -4.590340 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102105 tlogG= -0.578607 logG= -0.680713 Density= 3.499733 ETOT(band)= -1.765892 trlgG= -2.458779 logG= -0.680713 TDE= -4.586309 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102657 tlogG= -0.574666 logG= -0.677324 Density= 3.500902 ETOT(band)= -1.762138 trlgG= -2.453243 logG= -0.677324 TDE= -4.585100 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 Sum of eigenvalues= -1156.57861203750 eV TrLogG= -1610.71584830748 eV Ratio to renormalize= 1.000415029974 rho-rho_expected=-0.069696109733 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 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= 104 35) Finished k-point number 36 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 8) Finished k-point number 9 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= 105 32) Finished k-point number 33 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834775289769555 0.831904866903040 0.835192122100893 0.831817711700936 0.835359070322879 0.831739867268029 0.835026014646293 0.831794827374335 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101296 tlogG= -0.589758 logG= -0.691053 Density= 3.497627 ETOT(band)= -1.775245 trlgG= -2.476404 logG= -0.691053 TDE= -4.591904 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101213 tlogG= -0.586140 logG= -0.687352 Density= 3.497752 ETOT(band)= -1.772866 trlgG= -2.467332 logG= -0.687352 TDE= -4.586633 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101264 tlogG= -0.587855 logG= -0.689119 Density= 3.497955 ETOT(band)= -1.773733 trlgG= -2.470929 logG= -0.689119 TDE= -4.588627 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102022 tlogG= -0.578795 logG= -0.680817 Density= 3.499469 ETOT(band)= -1.766284 trlgG= -2.459187 logG= -0.680817 TDE= -4.586402 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101073 tlogG= -0.590783 logG= -0.691856 Density= 3.497306 ETOT(band)= -1.776277 trlgG= -2.476924 logG= -0.691856 TDE= -4.591363 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101349 tlogG= -0.587484 logG= -0.688833 Density= 3.498054 ETOT(band)= -1.773372 trlgG= -2.471170 logG= -0.688833 TDE= -4.589233 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101738 tlogG= -0.582217 logG= -0.683955 Density= 3.498812 ETOT(band)= -1.769145 trlgG= -2.464529 logG= -0.683955 TDE= -4.588078 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101525 tlogG= -0.583190 logG= -0.684715 Density= 3.498392 ETOT(band)= -1.770266 trlgG= -2.464598 logG= -0.684715 TDE= -4.587050 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102381 tlogG= -0.577390 logG= -0.679770 Density= 3.500292 ETOT(band)= -1.764525 trlgG= -2.457558 logG= -0.679770 TDE= -4.586479 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101332 tlogG= -0.591368 logG= -0.692700 Density= 3.497683 ETOT(band)= -1.776238 trlgG= -2.479523 logG= -0.692700 TDE= -4.593421 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=133 logGD-logG0= -0.101442 tlogG= -0.587522 logG= -0.688964 Density= 3.498091 ETOT(band)= -1.773331 trlgG= -2.472765 logG= -0.688964 TDE= -4.590726 logGD-logG0= -0.102662 tlogG= -0.574663 logG= -0.677325 Density= 3.500912 ETOT(band)= -1.762149 trlgG= -2.453256 logG= -0.677325 TDE= -4.585120 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101568 tlogG= -0.584783 logG= -0.686352 Density= 3.498552 ETOT(band)= -1.771103 trlgG= -2.467779 logG= -0.686352 TDE= -4.588723 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100988 tlogG= -0.592738 logG= -0.693726 Density= 3.496989 ETOT(band)= -1.777890 trlgG= -2.480857 logG= -0.693726 TDE= -4.593173 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101932 tlogG= -0.580924 logG= -0.682857 Density= 3.499318 ETOT(band)= -1.767838 trlgG= -2.462290 logG= -0.682857 TDE= -4.587343 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101474 tlogG= -0.585272 logG= -0.686746 Density= 3.498387 ETOT(band)= -1.771635 trlgG= -2.467620 logG= -0.686746 TDE= -4.588037 logGD-logG0= -0.101144 tlogG= -0.592072 logG= -0.693216 Density= 3.497282 ETOT(band)= -1.777106 trlgG= -2.480137 logG= -0.693216 TDE= -4.593197 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101005 tlogG= -0.590933 logG= -0.691938 Density= 3.497079 ETOT(band)= -1.776624 trlgG= -2.477192 logG= -0.691938 TDE= -4.591368 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101905 tlogG= -0.581900 logG= -0.683805 Density= 3.499369 ETOT(band)= -1.768423 trlgG= -2.463708 logG= -0.683805 TDE= -4.587854 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101783 tlogG= -0.581517 logG= -0.683300 Density= 3.499010 ETOT(band)= -1.768546 trlgG= -2.462802 logG= -0.683300 TDE= -4.587165 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101305 tlogG= -0.587330 logG= -0.688635 Density= 3.497725 ETOT(band)= -1.773583 trlgG= -2.471969 logG= -0.688635 TDE= -4.589966 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101203 tlogG= -0.590240 logG= -0.691443 Density= 3.497524 ETOT(band)= -1.775670 trlgG= -2.476514 logG= -0.691443 TDE= -4.591542 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102198 tlogG= -0.578124 logG= -0.680322 Density= 3.499854 ETOT(band)= -1.765454 trlgG= -2.458329 logG= -0.680322 TDE= -4.586348 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101354 tlogG= -0.585489 logG= -0.686843 Density= 3.497923 ETOT(band)= -1.772207 trlgG= -2.468612 logG= -0.686843 TDE= -4.588559 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101447 tlogG= -0.585643 logG= -0.687090 Density= 3.498551 ETOT(band)= -1.771728 trlgG= -2.466407 logG= -0.687090 TDE= -4.586611 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101187 tlogG= -0.588636 logG= -0.689823 Density= 3.497591 ETOT(band)= -1.774617 trlgG= -2.473047 logG= -0.689823 TDE= -4.589749 logGD-logG0= -0.102088 tlogG= -0.580275 logG= -0.682364 Density= 3.499684 ETOT(band)= -1.767037 trlgG= -2.461856 logG= -0.682364 TDE= -4.587696 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101278 tlogG= -0.585841 logG= -0.687119 Density= 3.497802 ETOT(band)= -1.772583 trlgG= -2.468374 logG= -0.687119 TDE= -4.587948 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.102430 tlogG= -0.575509 logG= -0.677938 Density= 3.500374 ETOT(band)= -1.763230 trlgG= -2.454557 logG= -0.677938 TDE= -4.585376 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101692 tlogG= -0.584272 logG= -0.685964 Density= 3.498807 ETOT(band)= -1.770511 trlgG= -2.467643 logG= -0.685964 TDE= -4.589179 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102900 tlogG= -0.573777 logG= -0.676677 Density= 3.501504 ETOT(band)= -1.760992 trlgG= -2.452131 logG= -0.676677 TDE= -4.585118 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101374 tlogG= -0.585492 logG= -0.686866 Density= 3.498040 ETOT(band)= -1.772129 trlgG= -2.468055 logG= -0.686866 TDE= -4.588074 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101556 tlogG= -0.585105 logG= -0.686661 Density= 3.498597 ETOT(band)= -1.771279 trlgG= -2.467492 logG= -0.686661 TDE= -4.588162 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101306 tlogG= -0.588097 logG= -0.689403 Density= 3.497806 ETOT(band)= -1.774012 trlgG= -2.473067 logG= -0.689403 TDE= -4.590361 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101702 tlogG= -0.582803 logG= -0.684505 Density= 3.498990 ETOT(band)= -1.769423 trlgG= -2.463785 logG= -0.684505 TDE= -4.586927 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102474 tlogG= -0.577219 logG= -0.679693 Density= 3.500577 ETOT(band)= -1.764175 trlgG= -2.457198 logG= -0.679693 TDE= -4.586425 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101201 tlogG= -0.587798 logG= -0.688999 Density= 3.497535 ETOT(band)= -1.774115 trlgG= -2.472032 logG= -0.688999 TDE= -4.589512 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102110 tlogG= -0.578605 logG= -0.680714 Density= 3.499744 ETOT(band)= -1.765903 trlgG= -2.458793 logG= -0.680714 TDE= -4.586331 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101102 tlogG= -0.588210 logG= -0.689312 Density= 3.497393 ETOT(band)= -1.774555 trlgG= -2.471581 logG= -0.689312 TDE= -4.588634 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101144 tlogG= -0.590369 logG= -0.691513 Density= 3.497313 ETOT(band)= -1.775980 trlgG= -2.476848 logG= -0.691513 TDE= -4.591635 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101797 tlogG= -0.582368 logG= -0.684165 Density= 3.499147 ETOT(band)= -1.768958 trlgG= -2.463823 logG= -0.684165 TDE= -4.587431 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101606 tlogG= -0.584448 logG= -0.686055 Density= 3.498499 ETOT(band)= -1.770924 trlgG= -2.468118 logG= -0.686055 TDE= -4.589316 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101347 tlogG= -0.589650 logG= -0.690997 Density= 3.497821 ETOT(band)= -1.774972 trlgG= -2.476058 logG= -0.690997 TDE= -4.591770 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101492 tlogG= -0.585398 logG= -0.686890 Density= 3.498546 ETOT(band)= -1.771547 trlgG= -2.467158 logG= -0.686890 TDE= -4.587559 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102289 tlogG= -0.577945 logG= -0.680233 Density= 3.500134 ETOT(band)= -1.765089 trlgG= -2.457931 logG= -0.680233 TDE= -4.586263 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101623 tlogG= -0.582723 logG= -0.684346 Density= 3.498570 ETOT(band)= -1.769744 trlgG= -2.464667 logG= -0.684346 TDE= -4.587631 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101475 tlogG= -0.584985 logG= -0.686460 Density= 3.498226 ETOT(band)= -1.771561 trlgG= -2.468288 logG= -0.686460 TDE= -4.588862 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101434 tlogG= -0.587063 logG= -0.688497 Density= 3.498204 ETOT(band)= -1.772924 trlgG= -2.471125 logG= -0.688497 TDE= -4.589644 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.58580095802 eV TrLogG= -1610.73027110143 eV Ratio to renormalize= 1.000412000725 rho-rho_expected=-0.069187616378 nargs= 1 argi=dmft2.def 39) Finished k-point number 40 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 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 28) Finished k-point number 29 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 34) Finished k-point number 35 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 12) Finished k-point number 13 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 42) Finished k-point number 43 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= 0.834767514651945 0.831897181302691 0.835184384053138 0.831810003486618 0.835351354819604 0.831732149963156 0.835018255821835 0.831787120827082 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101328 tlogG= -0.591373 logG= -0.692701 Density= 3.497672 ETOT(band)= -1.776231 trlgG= -2.479518 logG= -0.692701 TDE= -4.593407 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=133 logGD-logG0= -0.100984 tlogG= -0.592743 logG= -0.693727 Density= 3.496979 ETOT(band)= -1.777883 trlgG= -2.480850 logG= -0.693727 TDE= -4.593157 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101345 tlogG= -0.587489 logG= -0.688833 Density= 3.498044 ETOT(band)= -1.773365 trlgG= -2.471163 logG= -0.688833 TDE= -4.589217 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101260 tlogG= -0.587860 logG= -0.689119 Density= 3.497944 ETOT(band)= -1.773725 trlgG= -2.470922 logG= -0.689119 TDE= -4.588611 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101140 tlogG= -0.592077 logG= -0.693217 Density= 3.497271 ETOT(band)= -1.777099 trlgG= -2.480131 logG= -0.693217 TDE= -4.593182 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101779 tlogG= -0.581522 logG= -0.683301 Density= 3.499000 ETOT(band)= -1.768539 trlgG= -2.462794 logG= -0.683301 TDE= -4.587147 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102194 tlogG= -0.578129 logG= -0.680322 Density= 3.499844 ETOT(band)= -1.765447 trlgG= -2.458322 logG= -0.680322 TDE= -4.586332 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101564 tlogG= -0.584788 logG= -0.686352 Density= 3.498542 ETOT(band)= -1.771096 trlgG= -2.467771 logG= -0.686352 TDE= -4.588706 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101521 tlogG= -0.583195 logG= -0.684715 Density= 3.498382 ETOT(band)= -1.770258 trlgG= -2.464589 logG= -0.684715 TDE= -4.587033 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101602 tlogG= -0.584453 logG= -0.686055 Density= 3.498489 ETOT(band)= -1.770917 trlgG= -2.468110 logG= -0.686055 TDE= -4.589300 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101928 tlogG= -0.580929 logG= -0.682857 Density= 3.499307 ETOT(band)= -1.767831 trlgG= -2.462282 logG= -0.682857 TDE= -4.587326 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101183 tlogG= -0.588641 logG= -0.689824 Density= 3.497581 ETOT(band)= -1.774610 trlgG= -2.473040 logG= -0.689824 TDE= -4.589732 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101488 tlogG= -0.585403 logG= -0.686891 Density= 3.498535 ETOT(band)= -1.771539 trlgG= -2.467150 logG= -0.686891 TDE= -4.587541 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101438 tlogG= -0.587527 logG= -0.688965 Density= 3.498081 ETOT(band)= -1.773324 trlgG= -2.472757 logG= -0.688965 TDE= -4.590710 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101291 tlogG= -0.589763 logG= -0.691054 Density= 3.497617 ETOT(band)= -1.775238 trlgG= -2.476399 logG= -0.691054 TDE= -4.591889 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101274 tlogG= -0.585846 logG= -0.687120 Density= 3.497791 ETOT(band)= -1.772575 trlgG= -2.468366 logG= -0.687120 TDE= -4.587931 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101001 tlogG= -0.590938 logG= -0.691938 Density= 3.497068 ETOT(band)= -1.776616 trlgG= -2.477186 logG= -0.691938 TDE= -4.591352 logGD-logG0= -0.101350 tlogG= -0.585494 logG= -0.686844 Density= 3.497912 ETOT(band)= -1.772200 trlgG= -2.468604 logG= -0.686844 TDE= -4.588542 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101430 tlogG= -0.587068 logG= -0.688498 Density= 3.498194 ETOT(band)= -1.772916 trlgG= -2.471117 logG= -0.688498 TDE= -4.589627 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102284 tlogG= -0.577950 logG= -0.680234 Density= 3.500124 ETOT(band)= -1.765081 trlgG= -2.457924 logG= -0.680234 TDE= -4.586247 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101069 tlogG= -0.590788 logG= -0.691857 Density= 3.497295 ETOT(band)= -1.776270 trlgG= -2.476918 logG= -0.691857 TDE= -4.591348 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101197 tlogG= -0.587803 logG= -0.689000 Density= 3.497525 ETOT(band)= -1.774108 trlgG= -2.472024 logG= -0.689000 TDE= -4.589495 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101208 tlogG= -0.586144 logG= -0.687353 Density= 3.497742 ETOT(band)= -1.772859 trlgG= -2.467324 logG= -0.687353 TDE= -4.586617 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101302 tlogG= -0.588102 logG= -0.689404 Density= 3.497796 ETOT(band)= -1.774005 trlgG= -2.473059 logG= -0.689404 TDE= -4.590344 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101301 tlogG= -0.587335 logG= -0.688636 Density= 3.497715 ETOT(band)= -1.773575 trlgG= -2.471962 logG= -0.688636 TDE= -4.589949 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101370 tlogG= -0.585497 logG= -0.686867 Density= 3.498029 ETOT(band)= -1.772121 trlgG= -2.468047 logG= -0.686867 TDE= -4.588056 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101140 tlogG= -0.590374 logG= -0.691514 Density= 3.497303 ETOT(band)= -1.775973 trlgG= -2.476842 logG= -0.691514 TDE= -4.591620 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101734 tlogG= -0.582222 logG= -0.683956 Density= 3.498802 ETOT(band)= -1.769137 trlgG= -2.464521 logG= -0.683956 TDE= -4.588061 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101470 tlogG= -0.585277 logG= -0.686747 Density= 3.498377 ETOT(band)= -1.771627 trlgG= -2.467611 logG= -0.686747 TDE= -4.588020 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.102896 tlogG= -0.573782 logG= -0.676678 Density= 3.501493 ETOT(band)= -1.760984 trlgG= -2.452124 logG= -0.676678 TDE= -4.585102 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101199 tlogG= -0.590245 logG= -0.691444 Density= 3.497514 ETOT(band)= -1.775662 trlgG= -2.476508 logG= -0.691444 TDE= -4.591526 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102470 tlogG= -0.577225 logG= -0.679694 Density= 3.500567 ETOT(band)= -1.764167 trlgG= -2.457191 logG= -0.679694 TDE= -4.586409 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101098 tlogG= -0.588214 logG= -0.689313 Density= 3.497382 ETOT(band)= -1.774547 trlgG= -2.471573 logG= -0.689313 TDE= -4.588617 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101343 tlogG= -0.589655 logG= -0.690998 Density= 3.497810 ETOT(band)= -1.774965 trlgG= -2.476053 logG= -0.690998 TDE= -4.591755 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101688 tlogG= -0.584277 logG= -0.685965 Density= 3.498797 ETOT(band)= -1.770504 trlgG= -2.467635 logG= -0.685965 TDE= -4.589162 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102657 tlogG= -0.574668 logG= -0.677326 Density= 3.500902 ETOT(band)= -1.762142 trlgG= -2.453249 logG= -0.677326 TDE= -4.585104 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102018 tlogG= -0.578800 logG= -0.680817 Density= 3.499459 ETOT(band)= -1.766277 trlgG= -2.459178 logG= -0.680817 TDE= -4.586384 logGD-logG0= -0.101793 tlogG= -0.582373 logG= -0.684166 Density= 3.499137 ETOT(band)= -1.768951 trlgG= -2.463815 logG= -0.684166 TDE= -4.587414 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102084 tlogG= -0.580281 logG= -0.682365 Density= 3.499673 ETOT(band)= -1.767030 trlgG= -2.461849 logG= -0.682365 TDE= -4.587679 logGD-logG0= -0.102376 tlogG= -0.577395 logG= -0.679771 Density= 3.500281 ETOT(band)= -1.764518 trlgG= -2.457551 logG= -0.679771 TDE= -4.586463 logGD-logG0= -0.101619 tlogG= -0.582728 logG= -0.684347 Density= 3.498560 ETOT(band)= -1.769736 trlgG= -2.464659 logG= -0.684347 TDE= -4.587614 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102425 tlogG= -0.575514 logG= -0.677939 Density= 3.500364 ETOT(band)= -1.763223 trlgG= -2.454548 logG= -0.677939 TDE= -4.585358 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102105 tlogG= -0.578610 logG= -0.680715 Density= 3.499733 ETOT(band)= -1.765896 trlgG= -2.458785 logG= -0.680715 TDE= -4.586313 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101442 tlogG= -0.585648 logG= -0.687090 Density= 3.498540 ETOT(band)= -1.771721 trlgG= -2.466398 logG= -0.687090 TDE= -4.586594 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101551 tlogG= -0.585110 logG= -0.686662 Density= 3.498586 ETOT(band)= -1.771272 trlgG= -2.467483 logG= -0.686662 TDE= -4.588145 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101901 tlogG= -0.581905 logG= -0.683806 Density= 3.499359 ETOT(band)= -1.768416 trlgG= -2.463700 logG= -0.683806 TDE= -4.587837 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101471 tlogG= -0.584990 logG= -0.686461 Density= 3.498216 ETOT(band)= -1.771553 trlgG= -2.468280 logG= -0.686461 TDE= -4.588845 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101698 tlogG= -0.582807 logG= -0.684505 Density= 3.498980 ETOT(band)= -1.769416 trlgG= -2.463776 logG= -0.684505 TDE= -4.586909 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 Sum of eigenvalues= -1156.58105728650 eV TrLogG= -1610.71995342953 eV Ratio to renormalize= 1.000414965514 rho-rho_expected=-0.069685289426 nargs= 1 argi=dmft2.def 25) Finished k-point number 26 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 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= 0.834767282304265 0.831896699430642 0.835184139665697 0.831809527170698 0.835351123445904 0.831731664708386 0.835018022125396 0.831786635483642 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100984 tlogG= -0.592745 logG= -0.693729 Density= 3.496979 ETOT(band)= -1.777883 trlgG= -2.480853 logG= -0.693729 TDE= -4.593157 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101521 tlogG= -0.583197 logG= -0.684717 Density= 3.498381 ETOT(band)= -1.770258 trlgG= -2.464592 logG= -0.684717 TDE= -4.587033 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101208 tlogG= -0.586147 logG= -0.687355 Density= 3.497742 ETOT(band)= -1.772859 trlgG= -2.467326 logG= -0.687355 TDE= -4.586617 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102018 tlogG= -0.578802 logG= -0.680820 Density= 3.499459 ETOT(band)= -1.766277 trlgG= -2.459181 logG= -0.680820 TDE= -4.586384 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101564 tlogG= -0.584790 logG= -0.686354 Density= 3.498542 ETOT(band)= -1.771096 trlgG= -2.467773 logG= -0.686354 TDE= -4.588706 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101779 tlogG= -0.581525 logG= -0.683303 Density= 3.498999 ETOT(band)= -1.768539 trlgG= -2.462796 logG= -0.683303 TDE= -4.587147 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101370 tlogG= -0.585499 logG= -0.686869 Density= 3.498029 ETOT(band)= -1.772121 trlgG= -2.468049 logG= -0.686869 TDE= -4.588056 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101328 tlogG= -0.591375 logG= -0.692703 Density= 3.497672 ETOT(band)= -1.776231 trlgG= -2.479521 logG= -0.692703 TDE= -4.593407 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=133 logGD-logG0= -0.101183 tlogG= -0.588643 logG= -0.689826 Density= 3.497581 ETOT(band)= -1.774610 trlgG= -2.473042 logG= -0.689826 TDE= -4.589732 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101928 tlogG= -0.580932 logG= -0.682859 Density= 3.499307 ETOT(band)= -1.767831 trlgG= -2.462285 logG= -0.682859 TDE= -4.587326 logGD-logG0= -0.102470 tlogG= -0.577227 logG= -0.679696 Density= 3.500567 ETOT(band)= -1.764168 trlgG= -2.457194 logG= -0.679696 TDE= -4.586409 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101069 tlogG= -0.590790 logG= -0.691859 Density= 3.497295 ETOT(band)= -1.776270 trlgG= -2.476920 logG= -0.691859 TDE= -4.591348 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101345 tlogG= -0.587491 logG= -0.688836 Density= 3.498043 ETOT(band)= -1.773365 trlgG= -2.471165 logG= -0.688836 TDE= -4.589217 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101301 tlogG= -0.587337 logG= -0.688638 Density= 3.497714 ETOT(band)= -1.773576 trlgG= -2.471964 logG= -0.688638 TDE= -4.589949 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101488 tlogG= -0.585405 logG= -0.686893 Density= 3.498535 ETOT(band)= -1.771540 trlgG= -2.467152 logG= -0.686893 TDE= -4.587541 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101291 tlogG= -0.589765 logG= -0.691056 Density= 3.497617 ETOT(band)= -1.775238 trlgG= -2.476401 logG= -0.691056 TDE= -4.591890 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102896 tlogG= -0.573784 logG= -0.676680 Density= 3.501493 ETOT(band)= -1.760985 trlgG= -2.452127 logG= -0.676680 TDE= -4.585102 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.102376 tlogG= -0.577397 logG= -0.679773 Density= 3.500281 ETOT(band)= -1.764518 trlgG= -2.457553 logG= -0.679773 TDE= -4.586463 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102193 tlogG= -0.578131 logG= -0.680324 Density= 3.499844 ETOT(band)= -1.765447 trlgG= -2.458324 logG= -0.680324 TDE= -4.586332 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101350 tlogG= -0.585496 logG= -0.686846 Density= 3.497912 ETOT(band)= -1.772200 trlgG= -2.468607 logG= -0.686846 TDE= -4.588542 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101259 tlogG= -0.587862 logG= -0.689121 Density= 3.497944 ETOT(band)= -1.773726 trlgG= -2.470924 logG= -0.689121 TDE= -4.588611 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102425 tlogG= -0.575516 logG= -0.677941 Density= 3.500364 ETOT(band)= -1.763224 trlgG= -2.454551 logG= -0.677941 TDE= -4.585358 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101602 tlogG= -0.584456 logG= -0.686058 Density= 3.498489 ETOT(band)= -1.770917 trlgG= -2.468113 logG= -0.686058 TDE= -4.589300 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101470 tlogG= -0.585279 logG= -0.686749 Density= 3.498377 ETOT(band)= -1.771628 trlgG= -2.467614 logG= -0.686749 TDE= -4.588020 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102084 tlogG= -0.580283 logG= -0.682367 Density= 3.499673 ETOT(band)= -1.767030 trlgG= -2.461851 logG= -0.682367 TDE= -4.587679 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101901 tlogG= -0.581907 logG= -0.683808 Density= 3.499359 ETOT(band)= -1.768417 trlgG= -2.463703 logG= -0.683808 TDE= -4.587837 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101199 tlogG= -0.590247 logG= -0.691446 Density= 3.497513 ETOT(band)= -1.775663 trlgG= -2.476511 logG= -0.691446 TDE= -4.591526 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101001 tlogG= -0.590940 logG= -0.691940 Density= 3.497068 ETOT(band)= -1.776617 trlgG= -2.477188 logG= -0.691940 TDE= -4.591352 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101551 tlogG= -0.585112 logG= -0.686664 Density= 3.498586 ETOT(band)= -1.771272 trlgG= -2.467485 logG= -0.686664 TDE= -4.588145 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102657 tlogG= -0.574671 logG= -0.677328 Density= 3.500902 ETOT(band)= -1.762142 trlgG= -2.453251 logG= -0.677328 TDE= -4.585104 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101274 tlogG= -0.585848 logG= -0.687122 Density= 3.497791 ETOT(band)= -1.772576 trlgG= -2.468368 logG= -0.687122 TDE= -4.587931 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101140 tlogG= -0.592079 logG= -0.693219 Density= 3.497271 ETOT(band)= -1.777099 trlgG= -2.480133 logG= -0.693219 TDE= -4.593182 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101098 tlogG= -0.588217 logG= -0.689315 Density= 3.497382 ETOT(band)= -1.774548 trlgG= -2.471575 logG= -0.689315 TDE= -4.588617 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101197 tlogG= -0.587805 logG= -0.689002 Density= 3.497524 ETOT(band)= -1.774108 trlgG= -2.472026 logG= -0.689002 TDE= -4.589495 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101140 tlogG= -0.590377 logG= -0.691516 Density= 3.497302 ETOT(band)= -1.775974 trlgG= -2.476844 logG= -0.691516 TDE= -4.591620 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101438 tlogG= -0.587529 logG= -0.688967 Density= 3.498081 ETOT(band)= -1.773324 trlgG= -2.472760 logG= -0.688967 TDE= -4.590710 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101688 tlogG= -0.584279 logG= -0.685967 Density= 3.498796 ETOT(band)= -1.770504 trlgG= -2.467637 logG= -0.685967 TDE= -4.589162 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101470 tlogG= -0.584992 logG= -0.686463 Density= 3.498215 ETOT(band)= -1.771554 trlgG= -2.468283 logG= -0.686463 TDE= -4.588845 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101301 tlogG= -0.588104 logG= -0.689406 Density= 3.497796 ETOT(band)= -1.774005 trlgG= -2.473062 logG= -0.689406 TDE= -4.590344 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101734 tlogG= -0.582224 logG= -0.683958 Density= 3.498801 ETOT(band)= -1.769138 trlgG= -2.464524 logG= -0.683958 TDE= -4.588061 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101698 tlogG= -0.582810 logG= -0.684507 Density= 3.498980 ETOT(band)= -1.769416 trlgG= -2.463778 logG= -0.684507 TDE= -4.586910 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101430 tlogG= -0.587070 logG= -0.688500 Density= 3.498193 ETOT(band)= -1.772917 trlgG= -2.471120 logG= -0.688500 TDE= -4.589627 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101793 tlogG= -0.582375 logG= -0.684168 Density= 3.499137 ETOT(band)= -1.768951 trlgG= -2.463818 logG= -0.684168 TDE= -4.587414 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102284 tlogG= -0.577952 logG= -0.680236 Density= 3.500123 ETOT(band)= -1.765082 trlgG= -2.457926 logG= -0.680236 TDE= -4.586247 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101619 tlogG= -0.582730 logG= -0.684349 Density= 3.498560 ETOT(band)= -1.769737 trlgG= -2.464661 logG= -0.684349 TDE= -4.587614 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101442 tlogG= -0.585650 logG= -0.687092 Density= 3.498540 ETOT(band)= -1.771721 trlgG= -2.466400 logG= -0.687092 TDE= -4.586594 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102105 tlogG= -0.578612 logG= -0.680717 Density= 3.499733 ETOT(band)= -1.765896 trlgG= -2.458787 logG= -0.680717 TDE= -4.586313 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101343 tlogG= -0.589657 logG= -0.691000 Density= 3.497810 ETOT(band)= -1.774965 trlgG= -2.476055 logG= -0.691000 TDE= -4.591755 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 Sum of eigenvalues= -1156.58125904157 eV TrLogG= -1610.72135402446 eV Ratio to renormalize= 1.000415044898 rho-rho_expected=-0.069698614796 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 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 24) Finished k-point number 25 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= 105 31) Finished k-point number 32 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 19) Finished k-point number 20 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834770637703849 0.831899964800701 0.835187480545095 0.831812802353608 0.835354452772641 0.831734942453043 0.835021367790740 0.831789909563729 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101330 tlogG= -0.591374 logG= -0.692704 Density= 3.497677 ETOT(band)= -1.776234 trlgG= -2.479525 logG= -0.692704 TDE= -4.593414 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101261 tlogG= -0.587861 logG= -0.689122 Density= 3.497949 ETOT(band)= -1.773729 trlgG= -2.470929 logG= -0.689122 TDE= -4.588618 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101432 tlogG= -0.587069 logG= -0.688501 Density= 3.498198 ETOT(band)= -1.772920 trlgG= -2.471125 logG= -0.688501 TDE= -4.589635 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101293 tlogG= -0.589764 logG= -0.691057 Density= 3.497621 ETOT(band)= -1.775242 trlgG= -2.476405 logG= -0.691057 TDE= -4.591896 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101071 tlogG= -0.590790 logG= -0.691860 Density= 3.497300 ETOT(band)= -1.776273 trlgG= -2.476925 logG= -0.691860 TDE= -4.591355 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.100986 tlogG= -0.592744 logG= -0.693730 Density= 3.496983 ETOT(band)= -1.777886 trlgG= -2.480858 logG= -0.693730 TDE= -4.593164 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101210 tlogG= -0.586146 logG= -0.687356 Density= 3.497746 ETOT(band)= -1.772863 trlgG= -2.467332 logG= -0.687356 TDE= -4.586624 logGD-logG0= -0.101199 tlogG= -0.587804 logG= -0.689003 Density= 3.497529 ETOT(band)= -1.774112 trlgG= -2.472032 logG= -0.689003 TDE= -4.589503 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101347 tlogG= -0.587490 logG= -0.688837 Density= 3.498048 ETOT(band)= -1.773369 trlgG= -2.471170 logG= -0.688837 TDE= -4.589225 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101566 tlogG= -0.584790 logG= -0.686356 Density= 3.498546 ETOT(band)= -1.771100 trlgG= -2.467779 logG= -0.686356 TDE= -4.588714 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101303 tlogG= -0.587336 logG= -0.688639 Density= 3.497719 ETOT(band)= -1.773579 trlgG= -2.471969 logG= -0.688639 TDE= -4.589957 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101142 tlogG= -0.590376 logG= -0.691517 Density= 3.497307 ETOT(band)= -1.775977 trlgG= -2.476848 logG= -0.691517 TDE= -4.591627 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101372 tlogG= -0.585498 logG= -0.686870 Density= 3.498034 ETOT(band)= -1.772125 trlgG= -2.468055 logG= -0.686870 TDE= -4.588064 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101930 tlogG= -0.580931 logG= -0.682861 Density= 3.499312 ETOT(band)= -1.767834 trlgG= -2.462290 logG= -0.682861 TDE= -4.587334 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101185 tlogG= -0.588643 logG= -0.689827 Density= 3.497585 ETOT(band)= -1.774614 trlgG= -2.473047 logG= -0.689827 TDE= -4.589740 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102195 tlogG= -0.578130 logG= -0.680326 Density= 3.499848 ETOT(band)= -1.765450 trlgG= -2.458329 logG= -0.680326 TDE= -4.586339 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101100 tlogG= -0.588216 logG= -0.689316 Density= 3.497387 ETOT(band)= -1.774551 trlgG= -2.471580 logG= -0.689316 TDE= -4.588625 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102086 tlogG= -0.580282 logG= -0.682368 Density= 3.499678 ETOT(band)= -1.767034 trlgG= -2.461856 logG= -0.682368 TDE= -4.587687 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101352 tlogG= -0.585495 logG= -0.686847 Density= 3.497917 ETOT(band)= -1.772204 trlgG= -2.468612 logG= -0.686847 TDE= -4.588550 logGD-logG0= -0.101620 tlogG= -0.582730 logG= -0.684350 Density= 3.498564 ETOT(band)= -1.769740 trlgG= -2.464667 logG= -0.684350 TDE= -4.587622 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101142 tlogG= -0.592078 logG= -0.693220 Density= 3.497276 ETOT(band)= -1.777103 trlgG= -2.480138 logG= -0.693220 TDE= -4.593189 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101472 tlogG= -0.585278 logG= -0.686750 Density= 3.498382 ETOT(band)= -1.771631 trlgG= -2.467619 logG= -0.686750 TDE= -4.588028 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101472 tlogG= -0.584992 logG= -0.686464 Density= 3.498220 ETOT(band)= -1.771557 trlgG= -2.468288 logG= -0.686464 TDE= -4.588853 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101781 tlogG= -0.581524 logG= -0.683304 Density= 3.499004 ETOT(band)= -1.768543 trlgG= -2.462802 logG= -0.683304 TDE= -4.587155 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101002 tlogG= -0.590939 logG= -0.691942 Density= 3.497073 ETOT(band)= -1.776620 trlgG= -2.477193 logG= -0.691942 TDE= -4.591359 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101522 tlogG= -0.583196 logG= -0.684719 Density= 3.498386 ETOT(band)= -1.770262 trlgG= -2.464597 logG= -0.684719 TDE= -4.587041 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102659 tlogG= -0.574670 logG= -0.677329 Density= 3.500906 ETOT(band)= -1.762145 trlgG= -2.453256 logG= -0.677329 TDE= -4.585111 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101795 tlogG= -0.582374 logG= -0.684169 Density= 3.499141 ETOT(band)= -1.768954 trlgG= -2.463823 logG= -0.684169 TDE= -4.587422 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101201 tlogG= -0.590247 logG= -0.691447 Density= 3.497518 ETOT(band)= -1.775666 trlgG= -2.476515 logG= -0.691447 TDE= -4.591533 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102020 tlogG= -0.578801 logG= -0.680821 Density= 3.499463 ETOT(band)= -1.766280 trlgG= -2.459186 logG= -0.680821 TDE= -4.586392 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102898 tlogG= -0.573783 logG= -0.676681 Density= 3.501498 ETOT(band)= -1.760988 trlgG= -2.452132 logG= -0.676681 TDE= -4.585109 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.102286 tlogG= -0.577951 logG= -0.680237 Density= 3.500128 ETOT(band)= -1.765085 trlgG= -2.457931 logG= -0.680237 TDE= -4.586254 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102471 tlogG= -0.577226 logG= -0.679697 Density= 3.500571 ETOT(band)= -1.764171 trlgG= -2.457199 logG= -0.679697 TDE= -4.586417 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101553 tlogG= -0.585112 logG= -0.686665 Density= 3.498591 ETOT(band)= -1.771275 trlgG= -2.467491 logG= -0.686665 TDE= -4.588153 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101345 tlogG= -0.589656 logG= -0.691001 Density= 3.497815 ETOT(band)= -1.774969 trlgG= -2.476059 logG= -0.691001 TDE= -4.591762 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102107 tlogG= -0.578611 logG= -0.680718 Density= 3.499738 ETOT(band)= -1.765900 trlgG= -2.458793 logG= -0.680718 TDE= -4.586321 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102378 tlogG= -0.577396 logG= -0.679774 Density= 3.500286 ETOT(band)= -1.764521 trlgG= -2.457558 logG= -0.679774 TDE= -4.586470 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101903 tlogG= -0.581907 logG= -0.683809 Density= 3.499363 ETOT(band)= -1.768420 trlgG= -2.463708 logG= -0.683809 TDE= -4.587845 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101690 tlogG= -0.584278 logG= -0.685968 Density= 3.498801 ETOT(band)= -1.770507 trlgG= -2.467642 logG= -0.685968 TDE= -4.589170 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101736 tlogG= -0.582223 logG= -0.683959 Density= 3.498806 ETOT(band)= -1.769141 trlgG= -2.464529 logG= -0.683959 TDE= -4.588069 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101303 tlogG= -0.588104 logG= -0.689407 Density= 3.497800 ETOT(band)= -1.774008 trlgG= -2.473067 logG= -0.689407 TDE= -4.590352 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101604 tlogG= -0.584455 logG= -0.686059 Density= 3.498494 ETOT(band)= -1.770921 trlgG= -2.468118 logG= -0.686059 TDE= -4.589307 logGD-logG0= -0.101700 tlogG= -0.582809 logG= -0.684509 Density= 3.498984 ETOT(band)= -1.769420 trlgG= -2.463784 logG= -0.684509 TDE= -4.586918 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102427 tlogG= -0.575515 logG= -0.677942 Density= 3.500368 ETOT(band)= -1.763227 trlgG= -2.454556 logG= -0.677942 TDE= -4.585366 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101490 tlogG= -0.585404 logG= -0.686894 Density= 3.498540 ETOT(band)= -1.771544 trlgG= -2.467158 logG= -0.686894 TDE= -4.587549 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101444 tlogG= -0.585649 logG= -0.687094 Density= 3.498545 ETOT(band)= -1.771725 trlgG= -2.466406 logG= -0.687094 TDE= -4.586602 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101440 tlogG= -0.587528 logG= -0.688968 Density= 3.498085 ETOT(band)= -1.773328 trlgG= -2.472765 logG= -0.688968 TDE= -4.590717 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101276 tlogG= -0.585847 logG= -0.687123 Density= 3.497796 ETOT(band)= -1.772579 trlgG= -2.468373 logG= -0.687123 TDE= -4.587939 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 Sum of eigenvalues= -1156.58349954382 eV TrLogG= -1610.72710793350 eV Ratio to renormalize= 1.000413705494 rho-rho_expected=-0.069473781351 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834785607868158 0.831914972771856 0.835202416287126 0.831827840621231 0.835369291960195 0.831750010754022 0.835036351460532 0.831804930839507 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101356 tlogG= -0.587486 logG= -0.688842 Density= 3.498069 ETOT(band)= -1.773384 trlgG= -2.471193 logG= -0.688842 TDE= -4.589260 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102204 tlogG= -0.578126 logG= -0.680330 Density= 3.499870 ETOT(band)= -1.765466 trlgG= -2.458351 logG= -0.680330 TDE= -4.586374 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101789 tlogG= -0.581520 logG= -0.683309 Density= 3.499026 ETOT(band)= -1.768559 trlgG= -2.462826 logG= -0.683309 TDE= -4.587193 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101080 tlogG= -0.590785 logG= -0.691865 Density= 3.497321 ETOT(band)= -1.776289 trlgG= -2.476945 logG= -0.691865 TDE= -4.591388 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101575 tlogG= -0.584785 logG= -0.686360 Density= 3.498568 ETOT(band)= -1.771116 trlgG= -2.467802 logG= -0.686360 TDE= -4.588750 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101302 tlogG= -0.589760 logG= -0.691062 Density= 3.497643 ETOT(band)= -1.775257 trlgG= -2.476424 logG= -0.691062 TDE= -4.591928 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101939 tlogG= -0.580926 logG= -0.682865 Density= 3.499333 ETOT(band)= -1.767850 trlgG= -2.462312 logG= -0.682865 TDE= -4.587369 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101912 tlogG= -0.581902 logG= -0.683814 Density= 3.499385 ETOT(band)= -1.768436 trlgG= -2.463731 logG= -0.683814 TDE= -4.587880 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101481 tlogG= -0.585274 logG= -0.686755 Density= 3.498403 ETOT(band)= -1.771648 trlgG= -2.467643 logG= -0.686755 TDE= -4.588064 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101361 tlogG= -0.585491 logG= -0.686852 Density= 3.497938 ETOT(band)= -1.772220 trlgG= -2.468635 logG= -0.686852 TDE= -4.588586 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101613 tlogG= -0.584450 logG= -0.686063 Density= 3.498515 ETOT(band)= -1.770937 trlgG= -2.468140 logG= -0.686063 TDE= -4.589343 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101338 tlogG= -0.591370 logG= -0.692708 Density= 3.497699 ETOT(band)= -1.776250 trlgG= -2.479542 logG= -0.692708 TDE= -4.593444 logGD-logG0= -0.102029 tlogG= -0.578797 logG= -0.680825 Density= 3.499485 ETOT(band)= -1.766296 trlgG= -2.459211 logG= -0.680825 TDE= -4.586430 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101699 tlogG= -0.584274 logG= -0.685973 Density= 3.498823 ETOT(band)= -1.770523 trlgG= -2.467665 logG= -0.685973 TDE= -4.589205 logGD-logG0= -0.100994 tlogG= -0.592740 logG= -0.693734 Density= 3.497005 ETOT(band)= -1.777902 trlgG= -2.480878 logG= -0.693734 TDE= -4.593197 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101499 tlogG= -0.585400 logG= -0.686899 Density= 3.498561 ETOT(band)= -1.771560 trlgG= -2.467183 logG= -0.686899 TDE= -4.587586 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101270 tlogG= -0.587857 logG= -0.689127 Density= 3.497970 ETOT(band)= -1.773745 trlgG= -2.470951 logG= -0.689127 TDE= -4.588652 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101150 tlogG= -0.592074 logG= -0.693224 Density= 3.497297 ETOT(band)= -1.777118 trlgG= -2.480156 logG= -0.693224 TDE= -4.593221 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101193 tlogG= -0.588638 logG= -0.689832 Density= 3.497607 ETOT(band)= -1.774630 trlgG= -2.473070 logG= -0.689832 TDE= -4.589775 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101219 tlogG= -0.586142 logG= -0.687361 Density= 3.497768 ETOT(band)= -1.772879 trlgG= -2.467355 logG= -0.687361 TDE= -4.586660 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101453 tlogG= -0.585646 logG= -0.687099 Density= 3.498566 ETOT(band)= -1.771741 trlgG= -2.466431 logG= -0.687099 TDE= -4.586638 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101531 tlogG= -0.583192 logG= -0.684723 Density= 3.498408 ETOT(band)= -1.770278 trlgG= -2.464622 logG= -0.684723 TDE= -4.587078 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102116 tlogG= -0.578607 logG= -0.680723 Density= 3.499759 ETOT(band)= -1.765916 trlgG= -2.458818 logG= -0.680723 TDE= -4.586359 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101312 tlogG= -0.587332 logG= -0.688644 Density= 3.497741 ETOT(band)= -1.773595 trlgG= -2.471992 logG= -0.688644 TDE= -4.589992 37) Finished k-point 38 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101708 tlogG= -0.582805 logG= -0.684513 Density= 3.499006 ETOT(band)= -1.769436 trlgG= -2.463809 logG= -0.684513 TDE= -4.586955 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101150 tlogG= -0.590371 logG= -0.691522 Density= 3.497329 ETOT(band)= -1.775993 trlgG= -2.476868 logG= -0.691522 TDE= -4.591660 logGD-logG0= -0.101109 tlogG= -0.588212 logG= -0.689321 Density= 3.497408 ETOT(band)= -1.774567 trlgG= -2.471603 logG= -0.689321 TDE= -4.588660 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101449 tlogG= -0.587524 logG= -0.688972 Density= 3.498107 ETOT(band)= -1.773343 trlgG= -2.472787 logG= -0.688972 TDE= -4.590753 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102095 tlogG= -0.580277 logG= -0.682372 Density= 3.499699 ETOT(band)= -1.767049 trlgG= -2.461879 logG= -0.682372 TDE= -4.587722 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102481 tlogG= -0.577221 logG= -0.679702 Density= 3.500593 ETOT(band)= -1.764187 trlgG= -2.457220 logG= -0.679702 TDE= -4.586451 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102907 tlogG= -0.573779 logG= -0.676686 Density= 3.501519 ETOT(band)= -1.761004 trlgG= -2.452152 logG= -0.676686 TDE= -4.585143 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.101745 tlogG= -0.582219 logG= -0.683964 Density= 3.498828 ETOT(band)= -1.769157 trlgG= -2.464552 logG= -0.683964 TDE= -4.588105 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101208 tlogG= -0.587800 logG= -0.689008 Density= 3.497550 ETOT(band)= -1.774128 trlgG= -2.472054 logG= -0.689008 TDE= -4.589538 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101210 tlogG= -0.590242 logG= -0.691452 Density= 3.497539 ETOT(band)= -1.775682 trlgG= -2.476535 logG= -0.691452 TDE= -4.591566 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102295 tlogG= -0.577947 logG= -0.680242 Density= 3.500150 ETOT(band)= -1.765101 trlgG= -2.457952 logG= -0.680242 TDE= -4.586288 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102668 tlogG= -0.574665 logG= -0.677333 Density= 3.500928 ETOT(band)= -1.762161 trlgG= -2.453278 logG= -0.677333 TDE= -4.585146 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101629 tlogG= -0.582725 logG= -0.684355 Density= 3.498586 ETOT(band)= -1.769756 trlgG= -2.464689 logG= -0.684355 TDE= -4.587657 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101380 tlogG= -0.585494 logG= -0.686875 Density= 3.498055 ETOT(band)= -1.772141 trlgG= -2.468079 logG= -0.686875 TDE= -4.588101 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101353 tlogG= -0.589652 logG= -0.691005 Density= 3.497836 ETOT(band)= -1.774985 trlgG= -2.476078 logG= -0.691005 TDE= -4.591794 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101285 tlogG= -0.585843 logG= -0.687128 Density= 3.497817 ETOT(band)= -1.772595 trlgG= -2.468396 logG= -0.687128 TDE= -4.587974 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101011 tlogG= -0.590935 logG= -0.691946 Density= 3.497094 ETOT(band)= -1.776636 trlgG= -2.477213 logG= -0.691946 TDE= -4.591393 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101804 tlogG= -0.582370 logG= -0.684174 Density= 3.499163 ETOT(band)= -1.768971 trlgG= -2.463846 logG= -0.684174 TDE= -4.587457 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101481 tlogG= -0.584987 logG= -0.686469 Density= 3.498242 ETOT(band)= -1.771573 trlgG= -2.468311 logG= -0.686469 TDE= -4.588888 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102436 tlogG= -0.575511 logG= -0.677947 Density= 3.500390 ETOT(band)= -1.763243 trlgG= -2.454581 logG= -0.677947 TDE= -4.585404 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101562 tlogG= -0.585108 logG= -0.686670 Density= 3.498612 ETOT(band)= -1.771292 trlgG= -2.467515 logG= -0.686670 TDE= -4.588189 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101440 tlogG= -0.587065 logG= -0.688506 Density= 3.498219 ETOT(band)= -1.772936 trlgG= -2.471147 logG= -0.688506 TDE= -4.589670 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101312 tlogG= -0.588099 logG= -0.689412 Density= 3.497822 ETOT(band)= -1.774024 trlgG= -2.473089 logG= -0.689412 TDE= -4.590387 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102387 tlogG= -0.577392 logG= -0.679779 Density= 3.500308 ETOT(band)= -1.764537 trlgG= -2.457579 logG= -0.679779 TDE= -4.586505 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Sum of eigenvalues= -1156.59393165655 eV TrLogG= -1610.75294670858 eV Ratio to renormalize= 1.000407549837 rho-rho_expected=-0.068440479631 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 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= 0.834788038685258 0.831918340275662 0.835204857019560 0.831831201984407 0.835371716480345 0.831753401438912 0.835038780173254 0.831808327482664 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101271 tlogG= -0.587841 logG= -0.689112 Density= 3.497972 ETOT(band)= -1.773742 trlgG= -2.470933 logG= -0.689112 TDE= -4.588651 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101532 tlogG= -0.583176 logG= -0.684709 Density= 3.498410 ETOT(band)= -1.770274 trlgG= -2.464604 logG= -0.684709 TDE= -4.587077 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101482 tlogG= -0.585258 logG= -0.686740 Density= 3.498405 ETOT(band)= -1.771644 trlgG= -2.467625 logG= -0.686740 TDE= -4.588063 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101339 tlogG= -0.591354 logG= -0.692693 Density= 3.497701 ETOT(band)= -1.776246 trlgG= -2.479523 logG= -0.692693 TDE= -4.593442 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101354 tlogG= -0.589636 logG= -0.690990 Density= 3.497839 ETOT(band)= -1.774981 trlgG= -2.476059 logG= -0.690990 TDE= -4.591792 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101194 tlogG= -0.588623 logG= -0.689817 Density= 3.497609 ETOT(band)= -1.774626 trlgG= -2.473052 logG= -0.689817 TDE= -4.589774 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101362 tlogG= -0.585475 logG= -0.686837 Density= 3.497940 ETOT(band)= -1.772216 trlgG= -2.468617 logG= -0.686837 TDE= -4.588584 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101709 tlogG= -0.582789 logG= -0.684499 Density= 3.499008 ETOT(band)= -1.769432 trlgG= -2.463791 logG= -0.684499 TDE= -4.586954 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101220 tlogG= -0.586126 logG= -0.687346 Density= 3.497770 ETOT(band)= -1.772876 trlgG= -2.467337 logG= -0.687346 TDE= -4.586659 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101303 tlogG= -0.589744 logG= -0.691047 Density= 3.497645 ETOT(band)= -1.775254 trlgG= -2.476405 logG= -0.691047 TDE= -4.591926 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101356 tlogG= -0.587470 logG= -0.688827 Density= 3.498072 ETOT(band)= -1.773381 trlgG= -2.471175 logG= -0.688827 TDE= -4.589258 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100995 tlogG= -0.592724 logG= -0.693719 Density= 3.497007 ETOT(band)= -1.777899 trlgG= -2.480859 logG= -0.693719 TDE= -4.593196 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101313 tlogG= -0.588084 logG= -0.689397 Density= 3.497824 ETOT(band)= -1.774020 trlgG= -2.473071 logG= -0.689397 TDE= -4.590386 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101441 tlogG= -0.587049 logG= -0.688491 Density= 3.498222 ETOT(band)= -1.772932 trlgG= -2.471129 logG= -0.688491 TDE= -4.589668 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101790 tlogG= -0.581504 logG= -0.683294 Density= 3.499028 ETOT(band)= -1.768555 trlgG= -2.462808 logG= -0.683294 TDE= -4.587191 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101313 tlogG= -0.587316 logG= -0.688629 Density= 3.497743 ETOT(band)= -1.773591 trlgG= -2.471974 logG= -0.688629 TDE= -4.589991 37) Finished k-point 38 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101080 tlogG= -0.590769 logG= -0.691850 Density= 3.497323 ETOT(band)= -1.776286 trlgG= -2.476927 logG= -0.691850 TDE= -4.591387 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101576 tlogG= -0.584770 logG= -0.686345 Density= 3.498570 ETOT(band)= -1.771112 trlgG= -2.467783 logG= -0.686345 TDE= -4.588748 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101381 tlogG= -0.585479 logG= -0.686860 Density= 3.498057 ETOT(band)= -1.772137 trlgG= -2.468061 logG= -0.686860 TDE= -4.588100 logGD-logG0= -0.101912 tlogG= -0.581887 logG= -0.683799 Density= 3.499387 ETOT(band)= -1.768432 trlgG= -2.463712 logG= -0.683799 TDE= -4.587879 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101209 tlogG= -0.587784 logG= -0.688993 Density= 3.497553 ETOT(band)= -1.774124 trlgG= -2.472036 logG= -0.688993 TDE= -4.589537 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101012 tlogG= -0.590919 logG= -0.691931 Density= 3.497096 ETOT(band)= -1.776633 trlgG= -2.477195 logG= -0.691931 TDE= -4.591391 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102908 tlogG= -0.573763 logG= -0.676671 Density= 3.501522 ETOT(band)= -1.761000 trlgG= -2.452133 logG= -0.676671 TDE= -4.585141 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.101940 tlogG= -0.580911 logG= -0.682850 Density= 3.499336 ETOT(band)= -1.767847 trlgG= -2.462294 logG= -0.682850 TDE= -4.587368 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101110 tlogG= -0.588196 logG= -0.689306 Density= 3.497410 ETOT(band)= -1.774563 trlgG= -2.471585 logG= -0.689306 TDE= -4.588658 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101286 tlogG= -0.585828 logG= -0.687113 Density= 3.497819 ETOT(band)= -1.772592 trlgG= -2.468379 logG= -0.687113 TDE= -4.587973 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101151 tlogG= -0.590356 logG= -0.691507 Density= 3.497331 ETOT(band)= -1.775989 trlgG= -2.476849 logG= -0.691507 TDE= -4.591658 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101804 tlogG= -0.582355 logG= -0.684159 Density= 3.499165 ETOT(band)= -1.768967 trlgG= -2.463827 logG= -0.684159 TDE= -4.587456 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102117 tlogG= -0.578591 logG= -0.680708 Density= 3.499762 ETOT(band)= -1.765912 trlgG= -2.458800 logG= -0.680708 TDE= -4.586357 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101151 tlogG= -0.592058 logG= -0.693209 Density= 3.497300 ETOT(band)= -1.777115 trlgG= -2.480138 logG= -0.693209 TDE= -4.593219 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101614 tlogG= -0.584435 logG= -0.686048 Density= 3.498517 ETOT(band)= -1.770933 trlgG= -2.468122 logG= -0.686048 TDE= -4.589341 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101630 tlogG= -0.582710 logG= -0.684340 Density= 3.498588 ETOT(band)= -1.769753 trlgG= -2.464671 logG= -0.684340 TDE= -4.587656 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102481 tlogG= -0.577205 logG= -0.679687 Density= 3.500595 ETOT(band)= -1.764183 trlgG= -2.457201 logG= -0.679687 TDE= -4.586449 logGD-logG0= -0.101210 tlogG= -0.590226 logG= -0.691437 Density= 3.497542 ETOT(band)= -1.775678 trlgG= -2.476517 logG= -0.691437 TDE= -4.591564 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102096 tlogG= -0.580262 logG= -0.682357 Density= 3.499702 ETOT(band)= -1.767046 trlgG= -2.461860 logG= -0.682357 TDE= -4.587721 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101482 tlogG= -0.584972 logG= -0.686454 Density= 3.498244 ETOT(band)= -1.771570 trlgG= -2.468292 logG= -0.686454 TDE= -4.588887 logGD-logG0= -0.102205 tlogG= -0.578110 logG= -0.680315 Density= 3.499872 ETOT(band)= -1.765463 trlgG= -2.458332 logG= -0.680315 TDE= -4.586372 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102437 tlogG= -0.575495 logG= -0.677932 Density= 3.500392 ETOT(band)= -1.763239 trlgG= -2.454562 logG= -0.677932 TDE= -4.585402 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101563 tlogG= -0.585092 logG= -0.686655 Density= 3.498615 ETOT(band)= -1.771288 trlgG= -2.467497 logG= -0.686655 TDE= -4.588188 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102030 tlogG= -0.578781 logG= -0.680810 Density= 3.499487 ETOT(band)= -1.766293 trlgG= -2.459193 logG= -0.680810 TDE= -4.586428 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101450 tlogG= -0.587508 logG= -0.688957 Density= 3.498109 ETOT(band)= -1.773340 trlgG= -2.472769 logG= -0.688957 TDE= -4.590751 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101454 tlogG= -0.585630 logG= -0.687084 Density= 3.498568 ETOT(band)= -1.771737 trlgG= -2.466413 logG= -0.687084 TDE= -4.586637 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102296 tlogG= -0.577931 logG= -0.680227 Density= 3.500152 ETOT(band)= -1.765097 trlgG= -2.457934 logG= -0.680227 TDE= -4.586286 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101700 tlogG= -0.584258 logG= -0.685958 Density= 3.498825 ETOT(band)= -1.770520 trlgG= -2.467647 logG= -0.685958 TDE= -4.589204 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102669 tlogG= -0.574649 logG= -0.677318 Density= 3.500930 ETOT(band)= -1.762157 trlgG= -2.453259 logG= -0.677318 TDE= -4.585145 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102388 tlogG= -0.577376 logG= -0.679764 Density= 3.500310 ETOT(band)= -1.764533 trlgG= -2.457561 logG= -0.679764 TDE= -4.586503 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101499 tlogG= -0.585385 logG= -0.686884 Density= 3.498563 ETOT(band)= -1.771556 trlgG= -2.467165 logG= -0.686884 TDE= -4.587585 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101746 tlogG= -0.582203 logG= -0.683949 Density= 3.498830 ETOT(band)= -1.769153 trlgG= -2.464533 logG= -0.683949 TDE= -4.588103 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.59149839186 eV TrLogG= -1610.74220028580 eV Ratio to renormalize= 1.000406904893 rho-rho_expected=-0.068332217271 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 32) Finished k-point number 33 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 27) Finished k-point number 28 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834786709006434 0.831916653238650 0.835203502341154 0.831829523452575 0.835370399156837 0.831751708015108 0.835037447216729 0.831806638555631 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101302 tlogG= -0.589744 logG= -0.691046 Density= 3.497643 ETOT(band)= -1.775252 trlgG= -2.476403 logG= -0.691046 TDE= -4.591923 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101338 tlogG= -0.591354 logG= -0.692692 Density= 3.497698 ETOT(band)= -1.776244 trlgG= -2.479520 logG= -0.692692 TDE= -4.593439 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.102204 tlogG= -0.578110 logG= -0.680314 Density= 3.499870 ETOT(band)= -1.765461 trlgG= -2.458330 logG= -0.680314 TDE= -4.586368 logGD-logG0= -0.100994 tlogG= -0.592724 logG= -0.693719 Density= 3.497005 ETOT(band)= -1.777897 trlgG= -2.480857 logG= -0.693719 TDE= -4.593192 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102907 tlogG= -0.573763 logG= -0.676670 Density= 3.501519 ETOT(band)= -1.760998 trlgG= -2.452131 logG= -0.676670 TDE= -4.585138 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101380 tlogG= -0.585479 logG= -0.686859 Density= 3.498055 ETOT(band)= -1.772136 trlgG= -2.468058 logG= -0.686859 TDE= -4.588096 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101355 tlogG= -0.587470 logG= -0.688826 Density= 3.498069 ETOT(band)= -1.773379 trlgG= -2.471172 logG= -0.688826 TDE= -4.589254 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101361 tlogG= -0.585476 logG= -0.686836 Density= 3.497938 ETOT(band)= -1.772215 trlgG= -2.468614 logG= -0.686836 TDE= -4.588580 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101079 tlogG= -0.590770 logG= -0.691849 Density= 3.497321 ETOT(band)= -1.776284 trlgG= -2.476925 logG= -0.691849 TDE= -4.591383 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101745 tlogG= -0.582203 logG= -0.683948 Density= 3.498827 ETOT(band)= -1.769152 trlgG= -2.464531 logG= -0.683948 TDE= -4.588099 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101789 tlogG= -0.581504 logG= -0.683293 Density= 3.499025 ETOT(band)= -1.768553 trlgG= -2.462805 logG= -0.683293 TDE= -4.587187 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102116 tlogG= -0.578591 logG= -0.680707 Density= 3.499759 ETOT(band)= -1.765910 trlgG= -2.458796 logG= -0.680707 TDE= -4.586353 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101803 tlogG= -0.582355 logG= -0.684158 Density= 3.499162 ETOT(band)= -1.768965 trlgG= -2.463825 logG= -0.684158 TDE= -4.587452 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102668 tlogG= -0.574649 logG= -0.677318 Density= 3.500928 ETOT(band)= -1.762156 trlgG= -2.453256 logG= -0.677318 TDE= -4.585141 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102028 tlogG= -0.578781 logG= -0.680810 Density= 3.499485 ETOT(band)= -1.766291 trlgG= -2.459190 logG= -0.680810 TDE= -4.586424 logGD-logG0= -0.101011 tlogG= -0.590919 logG= -0.691930 Density= 3.497094 ETOT(band)= -1.776631 trlgG= -2.477193 logG= -0.691930 TDE= -4.591387 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101193 tlogG= -0.588623 logG= -0.689816 Density= 3.497607 ETOT(band)= -1.774625 trlgG= -2.473049 logG= -0.689816 TDE= -4.589770 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101480 tlogG= -0.585258 logG= -0.686739 Density= 3.498403 ETOT(band)= -1.771642 trlgG= -2.467622 logG= -0.686739 TDE= -4.588059 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101440 tlogG= -0.587049 logG= -0.688490 Density= 3.498219 ETOT(band)= -1.772931 trlgG= -2.471126 logG= -0.688490 TDE= -4.589664 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101481 tlogG= -0.584972 logG= -0.686453 Density= 3.498241 ETOT(band)= -1.771568 trlgG= -2.468290 logG= -0.686453 TDE= -4.588883 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101575 tlogG= -0.584770 logG= -0.686344 Density= 3.498568 ETOT(band)= -1.771110 trlgG= -2.467781 logG= -0.686344 TDE= -4.588744 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101209 tlogG= -0.590226 logG= -0.691436 Density= 3.497539 ETOT(band)= -1.775677 trlgG= -2.476514 logG= -0.691436 TDE= -4.591561 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101207 tlogG= -0.587785 logG= -0.688992 Density= 3.497550 ETOT(band)= -1.774123 trlgG= -2.472033 logG= -0.688992 TDE= -4.589533 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101312 tlogG= -0.587316 logG= -0.688628 Density= 3.497740 ETOT(band)= -1.773590 trlgG= -2.471971 logG= -0.688628 TDE= -4.589987 37) Finished k-point 38 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102095 tlogG= -0.580262 logG= -0.682356 Density= 3.499699 ETOT(band)= -1.767044 trlgG= -2.461858 logG= -0.682356 TDE= -4.587717 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101270 tlogG= -0.587842 logG= -0.689111 Density= 3.497970 ETOT(band)= -1.773740 trlgG= -2.470930 logG= -0.689111 TDE= -4.588647 logGD-logG0= -0.101531 tlogG= -0.583176 logG= -0.684708 Density= 3.498407 ETOT(band)= -1.770273 trlgG= -2.464601 logG= -0.684708 TDE= -4.587073 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101219 tlogG= -0.586126 logG= -0.687345 Density= 3.497767 ETOT(band)= -1.772874 trlgG= -2.467334 logG= -0.687345 TDE= -4.586655 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101353 tlogG= -0.589636 logG= -0.690989 Density= 3.497836 ETOT(band)= -1.774979 trlgG= -2.476057 logG= -0.690989 TDE= -4.591788 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101109 tlogG= -0.588196 logG= -0.689305 Density= 3.497408 ETOT(band)= -1.774562 trlgG= -2.471582 logG= -0.689305 TDE= -4.588654 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101150 tlogG= -0.592058 logG= -0.693208 Density= 3.497297 ETOT(band)= -1.777113 trlgG= -2.480135 logG= -0.693208 TDE= -4.593216 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102480 tlogG= -0.577206 logG= -0.679686 Density= 3.500593 ETOT(band)= -1.764181 trlgG= -2.457199 logG= -0.679686 TDE= -4.586446 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101699 tlogG= -0.584258 logG= -0.685957 Density= 3.498823 ETOT(band)= -1.770518 trlgG= -2.467644 logG= -0.685957 TDE= -4.589200 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101613 tlogG= -0.584435 logG= -0.686047 Density= 3.498515 ETOT(band)= -1.770931 trlgG= -2.468119 logG= -0.686047 TDE= -4.589337 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101150 tlogG= -0.590356 logG= -0.691506 Density= 3.497328 ETOT(band)= -1.775987 trlgG= -2.476847 logG= -0.691506 TDE= -4.591654 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101453 tlogG= -0.585630 logG= -0.687083 Density= 3.498566 ETOT(band)= -1.771735 trlgG= -2.466410 logG= -0.687083 TDE= -4.586633 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101562 tlogG= -0.585092 logG= -0.686654 Density= 3.498612 ETOT(band)= -1.771286 trlgG= -2.467494 logG= -0.686654 TDE= -4.588184 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102436 tlogG= -0.575495 logG= -0.677931 Density= 3.500390 ETOT(band)= -1.763237 trlgG= -2.454559 logG= -0.677931 TDE= -4.585398 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101284 tlogG= -0.585828 logG= -0.687112 Density= 3.497817 ETOT(band)= -1.772590 trlgG= -2.468376 logG= -0.687112 TDE= -4.587969 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.101449 tlogG= -0.587508 logG= -0.688956 Density= 3.498107 ETOT(band)= -1.773338 trlgG= -2.472766 logG= -0.688956 TDE= -4.590747 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102387 tlogG= -0.577376 logG= -0.679763 Density= 3.500307 ETOT(band)= -1.764532 trlgG= -2.457558 logG= -0.679763 TDE= -4.586499 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102295 tlogG= -0.577931 logG= -0.680226 Density= 3.500150 ETOT(band)= -1.765096 trlgG= -2.457931 logG= -0.680226 TDE= -4.586283 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101629 tlogG= -0.582710 logG= -0.684339 Density= 3.498586 ETOT(band)= -1.769751 trlgG= -2.464668 logG= -0.684339 TDE= -4.587652 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101312 tlogG= -0.588084 logG= -0.689396 Density= 3.497822 ETOT(band)= -1.774019 trlgG= -2.473068 logG= -0.689396 TDE= -4.590382 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101498 tlogG= -0.585385 logG= -0.686883 Density= 3.498561 ETOT(band)= -1.771554 trlgG= -2.467161 logG= -0.686883 TDE= -4.587581 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101939 tlogG= -0.580911 logG= -0.682849 Density= 3.499333 ETOT(band)= -1.767845 trlgG= -2.462291 logG= -0.682849 TDE= -4.587364 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101911 tlogG= -0.581887 logG= -0.683798 Density= 3.499385 ETOT(band)= -1.768431 trlgG= -2.463710 logG= -0.683798 TDE= -4.587875 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101708 tlogG= -0.582789 logG= -0.684498 Density= 3.499006 ETOT(band)= -1.769430 trlgG= -2.463788 logG= -0.684498 TDE= -4.586950 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 Sum of eigenvalues= -1156.59040056349 eV TrLogG= -1610.73909693389 eV Ratio to renormalize= 1.000407611993 rho-rho_expected=-0.068450913385 nargs= 1 argi=dmft2.def 26) Finished k-point number 27 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 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= 0.834736957757782 0.831852841834412 0.835153474838337 0.831765799692370 0.835321063530792 0.831687632342400 0.834987630672137 0.831742673096999 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101310 tlogG= -0.591444 logG= -0.692754 Density= 3.497630 ETOT(band)= -1.776251 trlgG= -2.479597 logG= -0.692754 TDE= -4.593399 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101352 tlogG= -0.585566 logG= -0.686918 Density= 3.497988 ETOT(band)= -1.772139 trlgG= -2.468111 logG= -0.686918 TDE= -4.588035 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102176 tlogG= -0.578198 logG= -0.680374 Density= 3.499802 ETOT(band)= -1.765465 trlgG= -2.458390 logG= -0.680374 TDE= -4.586314 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101546 tlogG= -0.584857 logG= -0.686404 Density= 3.498500 ETOT(band)= -1.771114 trlgG= -2.467837 logG= -0.686404 TDE= -4.588687 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101761 tlogG= -0.581591 logG= -0.683352 Density= 3.498958 ETOT(band)= -1.768557 trlgG= -2.462856 logG= -0.683352 TDE= -4.587124 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101601 tlogG= -0.582797 logG= -0.684398 Density= 3.498518 ETOT(band)= -1.769754 trlgG= -2.464725 logG= -0.684398 TDE= -4.587595 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101420 tlogG= -0.587597 logG= -0.689017 Density= 3.498038 ETOT(band)= -1.773343 trlgG= -2.472825 logG= -0.689017 TDE= -4.590691 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101191 tlogG= -0.586213 logG= -0.687403 Density= 3.497701 ETOT(band)= -1.772876 trlgG= -2.467390 logG= -0.687403 TDE= -4.586598 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100966 tlogG= -0.592813 logG= -0.693779 Density= 3.496937 ETOT(band)= -1.777902 trlgG= -2.480923 logG= -0.693779 TDE= -4.593143 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101452 tlogG= -0.585345 logG= -0.686798 Density= 3.498335 ETOT(band)= -1.771646 trlgG= -2.467676 logG= -0.686798 TDE= -4.587999 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101910 tlogG= -0.580999 logG= -0.682909 Density= 3.499265 ETOT(band)= -1.767849 trlgG= -2.462349 logG= -0.682909 TDE= -4.587308 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101503 tlogG= -0.583263 logG= -0.684766 Density= 3.498340 ETOT(band)= -1.770276 trlgG= -2.464650 logG= -0.684766 TDE= -4.587010 logGD-logG0= -0.101333 tlogG= -0.585563 logG= -0.686895 Density= 3.497871 ETOT(band)= -1.772218 trlgG= -2.468670 logG= -0.686895 TDE= -4.588523 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101273 tlogG= -0.589833 logG= -0.691106 Density= 3.497575 ETOT(band)= -1.775257 trlgG= -2.476474 logG= -0.691106 TDE= -4.591878 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101122 tlogG= -0.592147 logG= -0.693269 Density= 3.497229 ETOT(band)= -1.777119 trlgG= -2.480206 logG= -0.693269 TDE= -4.593170 logGD-logG0= -0.101412 tlogG= -0.587137 logG= -0.688549 Density= 3.498151 ETOT(band)= -1.772935 trlgG= -2.471185 logG= -0.688549 TDE= -4.589609 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101327 tlogG= -0.587558 logG= -0.688885 Density= 3.498002 ETOT(band)= -1.773383 trlgG= -2.471230 logG= -0.688885 TDE= -4.589199 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101680 tlogG= -0.582876 logG= -0.684556 Density= 3.498938 ETOT(band)= -1.769433 trlgG= -2.463837 logG= -0.684556 TDE= -4.586886 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101716 tlogG= -0.582291 logG= -0.684007 Density= 3.498760 ETOT(band)= -1.769156 trlgG= -2.464588 logG= -0.684007 TDE= -4.588043 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101051 tlogG= -0.590857 logG= -0.691909 Density= 3.497253 ETOT(band)= -1.776288 trlgG= -2.476990 logG= -0.691909 TDE= -4.591334 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101775 tlogG= -0.582442 logG= -0.684217 Density= 3.499095 ETOT(band)= -1.768969 trlgG= -2.463881 logG= -0.684217 TDE= -4.587395 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102407 tlogG= -0.575583 logG= -0.677991 Density= 3.500321 ETOT(band)= -1.763242 trlgG= -2.454611 logG= -0.677991 TDE= -4.585336 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101670 tlogG= -0.584346 logG= -0.686016 Density= 3.498754 ETOT(band)= -1.770522 trlgG= -2.467702 logG= -0.686016 TDE= -4.589143 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101453 tlogG= -0.585059 logG= -0.686512 Density= 3.498174 ETOT(band)= -1.771572 trlgG= -2.468346 logG= -0.686512 TDE= -4.588826 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100983 tlogG= -0.591007 logG= -0.691990 Density= 3.497026 ETOT(band)= -1.776635 trlgG= -2.477257 logG= -0.691990 TDE= -4.591338 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101470 tlogG= -0.585471 logG= -0.686941 Density= 3.498493 ETOT(band)= -1.771557 trlgG= -2.467212 logG= -0.686941 TDE= -4.587519 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101165 tlogG= -0.588710 logG= -0.689875 Density= 3.497539 ETOT(band)= -1.774628 trlgG= -2.473107 logG= -0.689875 TDE= -4.589714 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102266 tlogG= -0.578019 logG= -0.680285 logGD-logG0= -0.102358 tlogG= -0.577465 logG= -0.679823 Density= 3.500239 ETOT(band)= -1.764536 trlgG= -2.457620 logG= -0.679823 TDE= -4.586446 Density= 3.500081 ETOT(band)= -1.765100 trlgG= -2.457992 logG= -0.680285 TDE= -4.586230 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101242 tlogG= -0.587928 logG= -0.689170 Density= 3.497902 ETOT(band)= -1.773743 trlgG= -2.470992 logG= -0.689170 TDE= -4.588596 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101180 tlogG= -0.587872 logG= -0.689051 Density= 3.497483 ETOT(band)= -1.774126 trlgG= -2.472091 logG= -0.689051 TDE= -4.589477 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101284 tlogG= -0.587404 logG= -0.688688 Density= 3.497673 ETOT(band)= -1.773593 trlgG= -2.472029 logG= -0.688688 TDE= -4.589931 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101081 tlogG= -0.588283 logG= -0.689364 Density= 3.497341 ETOT(band)= -1.774564 trlgG= -2.471641 logG= -0.689364 TDE= -4.588601 logGD-logG0= -0.101883 tlogG= -0.581974 logG= -0.683857 Density= 3.499317 ETOT(band)= -1.768434 trlgG= -2.463767 logG= -0.683857 TDE= -4.587819 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102000 tlogG= -0.578869 logG= -0.680869 Density= 3.499417 ETOT(band)= -1.766295 trlgG= -2.459240 logG= -0.680869 TDE= -4.586361 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102878 tlogG= -0.573852 logG= -0.676730 Density= 3.501450 ETOT(band)= -1.761004 trlgG= -2.452195 logG= -0.676730 TDE= -4.585085 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102451 tlogG= -0.577294 logG= -0.679746 Density= 3.500524 ETOT(band)= -1.764186 trlgG= -2.457261 logG= -0.679746 TDE= -4.586393 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101122 tlogG= -0.590444 logG= -0.691566 Density= 3.497261 ETOT(band)= -1.775992 trlgG= -2.476915 logG= -0.691566 TDE= -4.591608 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101325 tlogG= -0.589725 logG= -0.691050 Density= 3.497768 ETOT(band)= -1.774985 trlgG= -2.476128 logG= -0.691050 TDE= -4.591744 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101284 tlogG= -0.588172 logG= -0.689456 Density= 3.497754 ETOT(band)= -1.774023 trlgG= -2.473126 logG= -0.689456 TDE= -4.590325 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101257 tlogG= -0.585914 logG= -0.687171 Density= 3.497750 ETOT(band)= -1.772593 trlgG= -2.468431 logG= -0.687171 TDE= -4.587912 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.102066 tlogG= -0.580350 logG= -0.682416 Density= 3.499631 ETOT(band)= -1.767049 trlgG= -2.461916 logG= -0.682416 TDE= -4.587661 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101584 tlogG= -0.584523 logG= -0.686107 Density= 3.498447 ETOT(band)= -1.770936 trlgG= -2.468177 logG= -0.686107 TDE= -4.589281 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102639 tlogG= -0.574738 logG= -0.677378 Density= 3.500859 ETOT(band)= -1.762161 trlgG= -2.453316 logG= -0.677378 TDE= -4.585085 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101425 tlogG= -0.585716 logG= -0.687141 Density= 3.498499 ETOT(band)= -1.771738 trlgG= -2.466462 logG= -0.687141 TDE= -4.586574 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101181 tlogG= -0.590315 logG= -0.691496 Density= 3.497471 ETOT(band)= -1.775681 trlgG= -2.476581 logG= -0.691496 TDE= -4.591513 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102087 tlogG= -0.578679 logG= -0.680766 Density= 3.499691 ETOT(band)= -1.765914 trlgG= -2.458847 logG= -0.680766 TDE= -4.586290 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101534 tlogG= -0.585179 logG= -0.686713 Density= 3.498544 ETOT(band)= -1.771289 trlgG= -2.467547 logG= -0.686713 TDE= -4.588123 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 Sum of eigenvalues= -1156.59301876691 eV TrLogG= -1610.74193505327 eV Ratio to renormalize= 1.000427006339 rho-rho_expected=-0.071706445887 nargs= 1 argi=dmft2.def 20) Finished k-point number 21 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 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= 105 4) Finished k-point number 5 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 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 16) Finished k-point number 17 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 0) Finished k-point number 1 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= 0.834739374727473 0.831855583077746 0.835155871972542 0.831768546003499 0.835323461368787 0.831690391017579 0.834990041780346 0.831745435389366 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101242 tlogG= -0.589820 logG= -0.691062 Density= 3.497665 ETOT(band)= -1.775176 trlgG= -2.476346 logG= -0.691062 TDE= -4.591868 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101685 tlogG= -0.582278 logG= -0.683963 Density= 3.498851 ETOT(band)= -1.769073 trlgG= -2.464460 logG= -0.683963 TDE= -4.588032 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100934 tlogG= -0.592800 logG= -0.693734 Density= 3.497027 ETOT(band)= -1.777820 trlgG= -2.480795 logG= -0.693734 TDE= -4.593133 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101968 tlogG= -0.578856 logG= -0.680824 Density= 3.499509 ETOT(band)= -1.766212 trlgG= -2.459112 logG= -0.680824 TDE= -4.586350 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102056 tlogG= -0.578666 logG= -0.680721 Density= 3.499782 ETOT(band)= -1.765832 trlgG= -2.458719 logG= -0.680721 TDE= -4.586279 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101133 tlogG= -0.588697 logG= -0.689830 Density= 3.497628 ETOT(band)= -1.774547 trlgG= -2.472980 logG= -0.689830 TDE= -4.589704 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101159 tlogG= -0.586200 logG= -0.687359 Density= 3.497790 ETOT(band)= -1.772795 trlgG= -2.467263 logG= -0.687359 TDE= -4.586588 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101019 tlogG= -0.590844 logG= -0.691863 Density= 3.497342 ETOT(band)= -1.776207 trlgG= -2.476863 logG= -0.691863 TDE= -4.591324 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102144 tlogG= -0.578185 logG= -0.680329 Density= 3.499894 ETOT(band)= -1.765382 trlgG= -2.458261 logG= -0.680329 TDE= -4.586304 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101420 tlogG= -0.585332 logG= -0.686752 Density= 3.498424 ETOT(band)= -1.771565 trlgG= -2.467549 logG= -0.686752 TDE= -4.587989 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101278 tlogG= -0.591431 logG= -0.692709 Density= 3.497720 ETOT(band)= -1.776169 trlgG= -2.479469 logG= -0.692709 TDE= -4.593388 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101514 tlogG= -0.584844 logG= -0.686359 Density= 3.498589 ETOT(band)= -1.771033 trlgG= -2.467710 logG= -0.686359 TDE= -4.588676 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101501 tlogG= -0.585166 logG= -0.686668 Density= 3.498634 ETOT(band)= -1.771208 trlgG= -2.467420 logG= -0.686668 TDE= -4.588113 logGD-logG0= -0.101320 tlogG= -0.585553 logG= -0.686873 Density= 3.498077 ETOT(band)= -1.772058 trlgG= -2.467983 logG= -0.686873 TDE= -4.588025 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101295 tlogG= -0.587545 logG= -0.688840 Density= 3.498090 ETOT(band)= -1.773302 trlgG= -2.471104 logG= -0.688840 TDE= -4.589189 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101729 tlogG= -0.581578 logG= -0.683308 Density= 3.499048 ETOT(band)= -1.768475 trlgG= -2.462728 logG= -0.683308 TDE= -4.587114 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101210 tlogG= -0.587915 logG= -0.689125 Density= 3.497989 ETOT(band)= -1.773663 trlgG= -2.470866 logG= -0.689125 TDE= -4.588585 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101421 tlogG= -0.585046 logG= -0.686467 Density= 3.498264 ETOT(band)= -1.771490 trlgG= -2.468218 logG= -0.686467 TDE= -4.588815 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101388 tlogG= -0.587584 logG= -0.688972 Density= 3.498129 ETOT(band)= -1.773261 trlgG= -2.472697 logG= -0.688972 TDE= -4.590681 logGD-logG0= -0.101380 tlogG= -0.587124 logG= -0.688504 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 Density= 3.498241 ETOT(band)= -1.772853 trlgG= -2.471057 logG= -0.688504 TDE= -4.589599 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102846 tlogG= -0.573839 logG= -0.676686 Density= 3.501544 ETOT(band)= -1.760920 trlgG= -2.452064 logG= -0.676686 TDE= -4.585075 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101252 tlogG= -0.587391 logG= -0.688643 Density= 3.497763 ETOT(band)= -1.773512 trlgG= -2.471901 logG= -0.688643 TDE= -4.589920 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101878 tlogG= -0.580986 logG= -0.682864 Density= 3.499356 ETOT(band)= -1.767767 trlgG= -2.462220 logG= -0.682864 TDE= -4.587297 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101301 tlogG= -0.585550 logG= -0.686851 Density= 3.497961 ETOT(band)= -1.772136 trlgG= -2.468543 logG= -0.686851 TDE= -4.588513 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101471 tlogG= -0.583250 logG= -0.684721 Density= 3.498430 ETOT(band)= -1.770194 trlgG= -2.464523 logG= -0.684721 TDE= -4.586999 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102608 tlogG= -0.574725 logG= -0.677333 Density= 3.500953 ETOT(band)= -1.762077 trlgG= -2.453186 logG= -0.677333 TDE= -4.585074 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102376 tlogG= -0.575570 logG= -0.677946 Density= 3.500414 ETOT(band)= -1.763159 trlgG= -2.454482 logG= -0.677946 TDE= -4.585325 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101743 tlogG= -0.582429 logG= -0.684172 Density= 3.499184 ETOT(band)= -1.768887 trlgG= -2.463754 logG= -0.684172 TDE= -4.587385 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101090 tlogG= -0.592134 logG= -0.693224 logGD-logG0= -0.101392 tlogG= -0.585703 logG= -0.687096 Density= 3.498585 ETOT(band)= -1.771659 trlgG= -2.466338 logG= -0.687096 TDE= -4.586564 Density= 3.497319 ETOT(band)= -1.777037 trlgG= -2.480078 logG= -0.693224 TDE= -4.593160 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101090 tlogG= -0.590431 logG= -0.691521 Density= 3.497350 ETOT(band)= -1.775911 trlgG= -2.476787 logG= -0.691521 TDE= -4.591597 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101149 tlogG= -0.590302 logG= -0.691451 Density= 3.497561 ETOT(band)= -1.775600 trlgG= -2.476453 logG= -0.691451 TDE= -4.591502 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102234 tlogG= -0.578006 logG= -0.680241 Density= 3.500173 ETOT(band)= -1.765017 trlgG= -2.457864 logG= -0.680241 TDE= -4.586219 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101049 tlogG= -0.588270 logG= -0.689319 Density= 3.497430 ETOT(band)= -1.774484 trlgG= -2.471514 logG= -0.689319 TDE= -4.588590 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102420 tlogG= -0.577281 logG= -0.679701 Density= 3.500617 ETOT(band)= -1.764103 trlgG= -2.457131 logG= -0.679701 TDE= -4.586382 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101293 tlogG= -0.589712 logG= -0.691005 Density= 3.497858 ETOT(band)= -1.774903 trlgG= -2.475999 logG= -0.691005 TDE= -4.591733 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101648 tlogG= -0.582863 logG= -0.684511 Density= 3.499026 ETOT(band)= -1.769353 trlgG= -2.463711 logG= -0.684511 TDE= -4.586876 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101225 tlogG= -0.585901 logG= -0.687126 Density= 3.497839 ETOT(band)= -1.772512 trlgG= -2.468304 logG= -0.687126 TDE= -4.587901 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101638 tlogG= -0.584333 logG= -0.685971 Density= 3.498845 ETOT(band)= -1.770440 trlgG= -2.467574 logG= -0.685971 TDE= -4.589133 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102327 tlogG= -0.577452 logG= -0.679778 Density= 3.500332 ETOT(band)= -1.764453 trlgG= -2.457490 logG= -0.679778 TDE= -4.586436 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102034 tlogG= -0.580337 logG= -0.682372 Density= 3.499723 ETOT(band)= -1.766966 trlgG= -2.461787 logG= -0.682372 TDE= -4.587650 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.100951 tlogG= -0.590994 logG= -0.691945 Density= 3.497116 ETOT(band)= -1.776554 trlgG= -2.477130 logG= -0.691945 TDE= -4.591328 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101252 tlogG= -0.588159 logG= -0.689411 Density= 3.497843 ETOT(band)= -1.773942 trlgG= -2.472998 logG= -0.689411 TDE= -4.590315 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101438 tlogG= -0.585458 logG= -0.686896 Density= 3.498581 ETOT(band)= -1.771476 trlgG= -2.467086 logG= -0.686896 TDE= -4.587509 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101569 tlogG= -0.582784 logG= -0.684353 Density= 3.498609 ETOT(band)= -1.769672 trlgG= -2.464597 logG= -0.684353 TDE= -4.587585 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101851 tlogG= -0.581961 logG= -0.683812 Density= 3.499407 ETOT(band)= -1.768352 trlgG= -2.463639 logG= -0.683812 TDE= -4.587808 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101148 tlogG= -0.587859 logG= -0.689007 Density= 3.497573 ETOT(band)= -1.774045 trlgG= -2.471963 logG= -0.689007 TDE= -4.589466 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101553 tlogG= -0.584510 logG= -0.686062 Density= 3.498538 ETOT(band)= -1.770853 trlgG= -2.468049 logG= -0.686062 TDE= -4.589270 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.53966027996 eV TrLogG= -1610.70572253634 eV Ratio to renormalize= 1.000401223497 rho-rho_expected=-0.067378513595 nargs= 1 argi=dmft2.def 8) Finished k-point number 9 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 5) Finished k-point number 6 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 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 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= 105 45) Finished k-point number 46 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834717603580278 0.831842858066438 0.835134392236905 0.831755663834886 0.835301831745745 0.831677595239392 0.834968410670039 0.831732666094926 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101007 tlogG= -0.590822 logG= -0.691829 Density= 3.497311 ETOT(band)= -1.776157 trlgG= -2.476776 logG= -0.691829 TDE= -4.591248 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101283 tlogG= -0.587522 logG= -0.688805 Density= 3.498060 ETOT(band)= -1.773252 trlgG= -2.471015 logG= -0.688805 TDE= -4.589111 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100922 tlogG= -0.592777 logG= -0.693699 Density= 3.496996 ETOT(band)= -1.777771 trlgG= -2.480709 logG= -0.693699 TDE= -4.593057 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101502 tlogG= -0.584822 logG= -0.686324 Density= 3.498559 ETOT(band)= -1.770983 trlgG= -2.467621 logG= -0.686324 TDE= -4.588598 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.101866 tlogG= -0.580964 logG= -0.682829 Density= 3.499325 ETOT(band)= -1.767717 trlgG= -2.462133 logG= -0.682829 TDE= -4.587219 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101147 tlogG= -0.586177 logG= -0.687324 Density= 3.497760 ETOT(band)= -1.772745 trlgG= -2.467173 logG= -0.687324 TDE= -4.586509 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101197 tlogG= -0.587893 logG= -0.689090 Density= 3.497959 ETOT(band)= -1.773613 trlgG= -2.470778 logG= -0.689090 TDE= -4.588508 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101121 tlogG= -0.588675 logG= -0.689796 Density= 3.497598 ETOT(band)= -1.774497 trlgG= -2.472891 logG= -0.689796 TDE= -4.589625 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102132 tlogG= -0.578163 logG= -0.680295 Density= 3.499863 ETOT(band)= -1.765332 trlgG= -2.458175 logG= -0.680295 TDE= -4.586228 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101266 tlogG= -0.591409 logG= -0.692674 Density= 3.497689 ETOT(band)= -1.776119 trlgG= -2.479388 logG= -0.692674 TDE= -4.593317 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101408 tlogG= -0.585310 logG= -0.686718 Density= 3.498393 ETOT(band)= -1.771515 trlgG= -2.467459 logG= -0.686718 TDE= -4.587909 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101956 tlogG= -0.578834 logG= -0.680790 Density= 3.499478 ETOT(band)= -1.766162 trlgG= -2.459021 logG= -0.680790 TDE= -4.586269 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102407 tlogG= -0.577259 logG= -0.679667 Density= 3.500586 ETOT(band)= -1.764053 trlgG= -2.457045 logG= -0.679667 TDE= -4.586306 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101229 tlogG= -0.589798 logG= -0.691027 Density= 3.497634 ETOT(band)= -1.775127 trlgG= -2.476264 logG= -0.691027 TDE= -4.591795 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101240 tlogG= -0.588136 logG= -0.689376 Density= 3.497813 ETOT(band)= -1.773892 trlgG= -2.472910 logG= -0.689376 TDE= -4.590236 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101289 tlogG= -0.585528 logG= -0.686816 Density= 3.497930 ETOT(band)= -1.772087 trlgG= -2.468454 logG= -0.686816 TDE= -4.588434 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101717 tlogG= -0.581556 logG= -0.683273 Density= 3.499017 ETOT(band)= -1.768425 trlgG= -2.462637 logG= -0.683273 TDE= -4.587033 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100939 tlogG= -0.590972 logG= -0.691910 Density= 3.497086 ETOT(band)= -1.776504 trlgG= -2.477044 logG= -0.691910 TDE= -4.591252 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101308 tlogG= -0.585530 logG= -0.686838 Density= 3.498047 ETOT(band)= -1.772008 trlgG= -2.467893 logG= -0.686838 TDE= -4.587945 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101731 tlogG= -0.582406 logG= -0.684137 Density= 3.499154 ETOT(band)= -1.768837 trlgG= -2.463665 logG= -0.684137 TDE= -4.587306 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101426 tlogG= -0.585436 logG= -0.686861 Density= 3.498551 ETOT(band)= -1.771426 trlgG= -2.466995 logG= -0.686861 TDE= -4.587428 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102222 tlogG= -0.577984 logG= -0.680206 Density= 3.500142 ETOT(band)= -1.764967 trlgG= -2.457778 logG= -0.680206 TDE= -4.586143 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101459 tlogG= -0.583228 logG= -0.684687 Density= 3.498400 ETOT(band)= -1.770144 trlgG= -2.464432 logG= -0.684687 TDE= -4.586919 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101540 tlogG= -0.584488 logG= -0.686028 Density= 3.498507 ETOT(band)= -1.770804 trlgG= -2.467961 logG= -0.686028 TDE= -4.589192 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102043 tlogG= -0.578643 logG= -0.680687 Density= 3.499751 ETOT(band)= -1.765782 trlgG= -2.458628 logG= -0.680687 TDE= -4.586199 logGD-logG0= -0.101212 tlogG= -0.585879 logG= -0.687091 Density= 3.497809 ETOT(band)= -1.772462 trlgG= -2.468215 logG= -0.687091 TDE= -4.587823 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101557 tlogG= -0.582762 logG= -0.684319 Density= 3.498578 ETOT(band)= -1.769623 trlgG= -2.464509 logG= -0.684319 TDE= -4.587507 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101626 tlogG= -0.584311 logG= -0.685937 Density= 3.498814 ETOT(band)= -1.770391 trlgG= -2.467486 logG= -0.685937 TDE= -4.589055 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101239 tlogG= -0.587369 logG= -0.688609 Density= 3.497732 ETOT(band)= -1.773463 trlgG= -2.471813 logG= -0.688609 TDE= -4.589842 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.102314 tlogG= -0.577430 logG= -0.679744 Density= 3.500301 ETOT(band)= -1.764404 trlgG= -2.457405 logG= -0.679744 TDE= -4.586359 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101037 tlogG= -0.588248 logG= -0.689284 Density= 3.497400 ETOT(band)= -1.774434 trlgG= -2.471425 logG= -0.689284 TDE= -4.588512 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101135 tlogG= -0.587837 logG= -0.688972 Density= 3.497542 ETOT(band)= -1.773995 trlgG= -2.471875 logG= -0.688972 TDE= -4.589388 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101281 tlogG= -0.589690 logG= -0.690970 Density= 3.497827 ETOT(band)= -1.774853 trlgG= -2.475917 logG= -0.690970 TDE= -4.591660 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101380 tlogG= -0.585680 logG= -0.687061 Density= 3.498555 ETOT(band)= -1.771608 trlgG= -2.466246 logG= -0.687061 TDE= -4.586483 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101839 tlogG= -0.581939 logG= -0.683778 Density= 3.499377 ETOT(band)= -1.768302 trlgG= -2.463550 logG= -0.683778 TDE= -4.587730 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101376 tlogG= -0.587561 logG= -0.688937 Density= 3.498098 ETOT(band)= -1.773212 trlgG= -2.472609 logG= -0.688937 TDE= -4.590603 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101368 tlogG= -0.587102 logG= -0.688469 Density= 3.498210 ETOT(band)= -1.772803 trlgG= -2.470970 logG= -0.688469 TDE= -4.589521 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101078 tlogG= -0.592112 logG= -0.693189 Density= 3.497289 ETOT(band)= -1.776988 trlgG= -2.479994 logG= -0.693189 TDE= -4.593086 logGD-logG0= -0.101409 tlogG= -0.585024 logG= -0.686433 Density= 3.498234 ETOT(band)= -1.771440 trlgG= -2.468130 logG= -0.686433 TDE= -4.588737 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102022 tlogG= -0.580315 logG= -0.682337 Density= 3.499692 ETOT(band)= -1.766916 trlgG= -2.461700 logG= -0.682337 TDE= -4.587572 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102595 tlogG= -0.574704 logG= -0.677299 Density= 3.500922 ETOT(band)= -1.762027 trlgG= -2.453099 logG= -0.677299 TDE= -4.584997 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101489 tlogG= -0.585144 logG= -0.686633 logGD-logG0= -0.102363 tlogG= -0.575548 logG= -0.677912 Density= 3.500383 ETOT(band)= -1.763109 trlgG= -2.454391 logG= -0.677912 TDE= -4.585244 Density= 3.498603 ETOT(band)= -1.771158 trlgG= -2.467329 logG= -0.686633 TDE= -4.588033 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101078 tlogG= -0.590409 logG= -0.691487 Density= 3.497320 ETOT(band)= -1.775861 trlgG= -2.476703 logG= -0.691487 TDE= -4.591523 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101635 tlogG= -0.582840 logG= -0.684476 Density= 3.498996 ETOT(band)= -1.769302 trlgG= -2.463620 logG= -0.684476 TDE= -4.586795 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102834 tlogG= -0.573818 logG= -0.676651 Density= 3.501513 ETOT(band)= -1.760870 trlgG= -2.451979 logG= -0.676651 TDE= -4.584999 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101672 tlogG= -0.582256 logG= -0.683928 Density= 3.498820 ETOT(band)= -1.769024 trlgG= -2.464371 logG= -0.683928 TDE= -4.587954 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101137 tlogG= -0.590279 logG= -0.691416 Density= 3.497530 ETOT(band)= -1.775550 trlgG= -2.476369 logG= -0.691416 TDE= -4.591428 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 Sum of eigenvalues= -1156.50716391966 eV TrLogG= -1610.63240955497 eV Ratio to renormalize= 1.000409962063 rho-rho_expected=-0.068845402516 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 19) Finished k-point number 20 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 37) Finished k-point number 38 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= 105 28) Finished k-point number 29 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 45) Finished k-point number 46 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= 0.834716822637165 0.831842150107369 0.835133625796568 0.831754950313988 0.835301054821980 0.831676882778341 0.834967632437827 0.831731952212528 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101266 tlogG= -0.591412 logG= -0.692678 Density= 3.497689 ETOT(band)= -1.776121 trlgG= -2.479393 logG= -0.692678 TDE= -4.593318 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101408 tlogG= -0.585313 logG= -0.686721 Density= 3.498393 ETOT(band)= -1.771516 trlgG= -2.467463 logG= -0.686721 TDE= -4.587910 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101283 tlogG= -0.587525 logG= -0.688808 Density= 3.498059 ETOT(band)= -1.773253 trlgG= -2.471020 logG= -0.688808 TDE= -4.589112 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100922 tlogG= -0.592781 logG= -0.693702 Density= 3.496996 ETOT(band)= -1.777772 trlgG= -2.480714 logG= -0.693702 TDE= -4.593058 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101121 tlogG= -0.588678 logG= -0.689799 Density= 3.497597 ETOT(band)= -1.774499 trlgG= -2.472896 logG= -0.689799 TDE= -4.589626 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101239 tlogG= -0.588140 logG= -0.689379 Density= 3.497812 ETOT(band)= -1.773894 trlgG= -2.472915 logG= -0.689379 TDE= -4.590237 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101229 tlogG= -0.589801 logG= -0.691030 Density= 3.497634 ETOT(band)= -1.775128 trlgG= -2.476268 logG= -0.691030 TDE= -4.591796 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101007 tlogG= -0.590825 logG= -0.691832 Density= 3.497311 ETOT(band)= -1.776159 trlgG= -2.476781 logG= -0.691832 TDE= -4.591249 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101288 tlogG= -0.585531 logG= -0.686819 Density= 3.497930 ETOT(band)= -1.772088 trlgG= -2.468459 logG= -0.686819 TDE= -4.588435 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101239 tlogG= -0.587372 logG= -0.688612 Density= 3.497732 ETOT(band)= -1.773464 trlgG= -2.471818 logG= -0.688612 TDE= -4.589843 logGD-logG0= -0.101459 tlogG= -0.583231 logG= -0.684690 Density= 3.498399 ETOT(band)= -1.770146 trlgG= -2.464436 logG= -0.684690 TDE= -4.586920 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101540 tlogG= -0.584491 logG= -0.686031 Density= 3.498507 ETOT(band)= -1.770806 trlgG= -2.467965 logG= -0.686031 TDE= -4.589193 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101717 tlogG= -0.581559 logG= -0.683276 Density= 3.499017 ETOT(band)= -1.768427 trlgG= -2.462641 logG= -0.683276 TDE= -4.587034 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101078 tlogG= -0.592115 logG= -0.693193 Density= 3.497288 ETOT(band)= -1.776989 trlgG= -2.479999 logG= -0.693193 TDE= -4.593087 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102131 tlogG= -0.578167 logG= -0.680298 Density= 3.499863 ETOT(band)= -1.765334 trlgG= -2.458180 logG= -0.680298 TDE= -4.586229 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101308 tlogG= -0.585534 logG= -0.686842 Density= 3.498047 ETOT(band)= -1.772009 trlgG= -2.467898 logG= -0.686842 TDE= -4.587946 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101137 tlogG= -0.590283 logG= -0.691420 Density= 3.497530 ETOT(band)= -1.775551 trlgG= -2.476373 logG= -0.691420 TDE= -4.591429 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101672 tlogG= -0.582259 logG= -0.683931 Density= 3.498820 ETOT(band)= -1.769025 trlgG= -2.464376 logG= -0.683931 TDE= -4.587955 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101147 tlogG= -0.586180 logG= -0.687327 Density= 3.497759 ETOT(band)= -1.772746 trlgG= -2.467177 logG= -0.687327 TDE= -4.586510 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101502 tlogG= -0.584825 logG= -0.686327 Density= 3.498559 ETOT(band)= -1.770984 trlgG= -2.467626 logG= -0.686327 TDE= -4.588599 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101626 tlogG= -0.584314 logG= -0.685940 Density= 3.498814 ETOT(band)= -1.770392 trlgG= -2.467490 logG= -0.685940 TDE= -4.589055 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101376 tlogG= -0.587565 logG= -0.688941 Density= 3.498098 ETOT(band)= -1.773213 trlgG= -2.472614 logG= -0.688941 TDE= -4.590604 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100939 tlogG= -0.590975 logG= -0.691914 Density= 3.497085 ETOT(band)= -1.776505 trlgG= -2.477048 logG= -0.691914 TDE= -4.591253 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101197 tlogG= -0.587896 logG= -0.689093 Density= 3.497959 ETOT(band)= -1.773614 trlgG= -2.470783 logG= -0.689093 TDE= -4.588509 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101489 tlogG= -0.585147 logG= -0.686636 Density= 3.498603 ETOT(band)= -1.771159 trlgG= -2.467334 logG= -0.686636 TDE= -4.588034 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101866 tlogG= -0.580967 logG= -0.682833 Density= 3.499325 ETOT(band)= -1.767718 trlgG= -2.462137 logG= -0.682833 TDE= -4.587220 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101367 tlogG= -0.587105 logG= -0.688473 Density= 3.498210 ETOT(band)= -1.772805 trlgG= -2.470974 logG= -0.688473 TDE= -4.589522 logGD-logG0= -0.102834 tlogG= -0.573821 logG= -0.676655 Density= 3.501513 ETOT(band)= -1.760872 trlgG= -2.451984 logG= -0.676655 TDE= -4.585000 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101408 tlogG= -0.585027 logG= -0.686436 Density= 3.498233 ETOT(band)= -1.771442 trlgG= -2.468134 logG= -0.686436 TDE= -4.588738 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101078 tlogG= -0.590412 logG= -0.691490 Density= 3.497320 ETOT(band)= -1.775862 trlgG= -2.476708 logG= -0.691490 TDE= -4.591524 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101730 tlogG= -0.582410 logG= -0.684140 Density= 3.499153 ETOT(band)= -1.768838 trlgG= -2.463670 logG= -0.684140 TDE= -4.587307 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101380 tlogG= -0.585684 logG= -0.687064 Density= 3.498554 ETOT(band)= -1.771609 trlgG= -2.466250 logG= -0.687064 TDE= -4.586484 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101036 tlogG= -0.588251 logG= -0.689287 Density= 3.497399 ETOT(band)= -1.774435 trlgG= -2.471430 logG= -0.689287 TDE= -4.588513 logGD-logG0= -0.102363 tlogG= -0.575552 logG= -0.677915 Density= 3.500383 ETOT(band)= -1.763110 trlgG= -2.454396 logG= -0.677915 TDE= -4.585245 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101281 tlogG= -0.589693 logG= -0.690974 Density= 3.497827 ETOT(band)= -1.774855 trlgG= -2.475922 logG= -0.690974 TDE= -4.591661 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102043 tlogG= -0.578647 logG= -0.680690 Density= 3.499751 ETOT(band)= -1.765783 trlgG= -2.458632 logG= -0.680690 TDE= -4.586199 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102022 tlogG= -0.580319 logG= -0.682340 Density= 3.499691 ETOT(band)= -1.766918 trlgG= -2.461704 logG= -0.682340 TDE= -4.587573 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101557 tlogG= -0.582765 logG= -0.684322 Density= 3.498578 ETOT(band)= -1.769624 trlgG= -2.464513 logG= -0.684322 TDE= -4.587507 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102314 tlogG= -0.577433 logG= -0.679747 Density= 3.500301 ETOT(band)= -1.764405 trlgG= -2.457409 logG= -0.679747 TDE= -4.586360 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101135 tlogG= -0.587840 logG= -0.688975 Density= 3.497542 ETOT(band)= -1.773996 trlgG= -2.471880 logG= -0.688975 TDE= -4.589389 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101426 tlogG= -0.585439 logG= -0.686865 Density= 3.498550 ETOT(band)= -1.771428 trlgG= -2.467000 logG= -0.686865 TDE= -4.587429 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101838 tlogG= -0.581942 logG= -0.683781 Density= 3.499376 ETOT(band)= -1.768304 trlgG= -2.463555 logG= -0.683781 TDE= -4.587731 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102407 tlogG= -0.577263 logG= -0.679670 Density= 3.500586 ETOT(band)= -1.764054 trlgG= -2.457050 logG= -0.679670 TDE= -4.586307 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101956 tlogG= -0.578837 logG= -0.680793 Density= 3.499477 ETOT(band)= -1.766164 trlgG= -2.459025 logG= -0.680793 TDE= -4.586270 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101635 tlogG= -0.582844 logG= -0.684479 Density= 3.498995 ETOT(band)= -1.769304 trlgG= -2.463624 logG= -0.684479 TDE= -4.586796 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102222 tlogG= -0.577987 logG= -0.680209 Density= 3.500142 ETOT(band)= -1.764969 trlgG= -2.457782 logG= -0.680209 TDE= -4.586144 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102595 tlogG= -0.574707 logG= -0.677302 Density= 3.500921 ETOT(band)= -1.762029 trlgG= -2.453104 logG= -0.677302 TDE= -4.584998 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101212 tlogG= -0.585882 logG= -0.687094 Density= 3.497809 ETOT(band)= -1.772464 trlgG= -2.468219 logG= -0.687094 TDE= -4.587824 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 Sum of eigenvalues= -1156.50807681877 eV TrLogG= -1610.63512565345 eV Ratio to renormalize= 1.000410084810 rho-rho_expected=-0.068866007179 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 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 19) Finished k-point number 20 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 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= 105 28) Finished k-point number 29 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834718295178484 0.831842609924299 0.835135055616165 0.831755434204721 0.835302521362477 0.831677346874813 0.834969092404780 0.831732415177602 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101287 tlogG= -0.587378 logG= -0.688665 Density= 3.497782 ETOT(band)= -1.773433 trlgG= -2.471841 logG= -0.688665 TDE= -4.589853 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101473 tlogG= -0.585445 logG= -0.686918 Density= 3.498602 ETOT(band)= -1.771396 trlgG= -2.467022 logG= -0.686918 TDE= -4.587440 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102091 tlogG= -0.578652 logG= -0.680744 logGD-logG0= -0.100969 tlogG= -0.592786 logG= -0.693756 Density= 3.497046 ETOT(band)= -1.777742 trlgG= -2.480737 logG= -0.693756 TDE= -4.593068 Density= 3.499802 ETOT(band)= -1.765752 trlgG= -2.458656 logG= -0.680744 TDE= -4.586210 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101195 tlogG= -0.586186 logG= -0.687381 Density= 3.497810 ETOT(band)= -1.772715 trlgG= -2.467201 logG= -0.687381 TDE= -4.586520 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101356 tlogG= -0.585539 logG= -0.686895 Density= 3.498097 ETOT(band)= -1.771978 trlgG= -2.467921 logG= -0.686895 TDE= -4.587957 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101507 tlogG= -0.583237 logG= -0.684743 Density= 3.498450 ETOT(band)= -1.770114 trlgG= -2.464460 logG= -0.684743 TDE= -4.586930 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101277 tlogG= -0.589807 logG= -0.691084 Density= 3.497684 ETOT(band)= -1.775097 trlgG= -2.476291 logG= -0.691084 TDE= -4.591806 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101550 tlogG= -0.584831 logG= -0.686381 Density= 3.498609 ETOT(band)= -1.770953 trlgG= -2.467649 logG= -0.686381 TDE= -4.588609 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101336 tlogG= -0.585537 logG= -0.686873 Density= 3.497980 ETOT(band)= -1.772057 trlgG= -2.468482 logG= -0.686873 TDE= -4.588446 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101456 tlogG= -0.585319 logG= -0.686774 Density= 3.498444 ETOT(band)= -1.771485 trlgG= -2.467486 logG= -0.686774 TDE= -4.587921 logGD-logG0= -0.101185 tlogG= -0.590288 logG= -0.691473 Density= 3.497580 ETOT(band)= -1.775521 trlgG= -2.476396 logG= -0.691473 TDE= -4.591439 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101125 tlogG= -0.592121 logG= -0.693246 Density= 3.497338 ETOT(band)= -1.776959 trlgG= -2.480022 logG= -0.693246 TDE= -4.593097 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101169 tlogG= -0.588684 logG= -0.689852 Density= 3.497648 ETOT(band)= -1.774468 trlgG= -2.472919 logG= -0.689852 TDE= -4.589637 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101765 tlogG= -0.581565 logG= -0.683330 Density= 3.499068 ETOT(band)= -1.768396 trlgG= -2.462665 logG= -0.683330 TDE= -4.587044 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102004 tlogG= -0.578842 logG= -0.680846 Density= 3.499528 ETOT(band)= -1.766133 trlgG= -2.459049 logG= -0.680846 TDE= -4.586281 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101778 tlogG= -0.582415 logG= -0.684194 Density= 3.499204 ETOT(band)= -1.768807 trlgG= -2.463693 logG= -0.684194 TDE= -4.587318 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102070 tlogG= -0.580324 logG= -0.682394 Density= 3.499742 ETOT(band)= -1.766887 trlgG= -2.461728 logG= -0.682394 TDE= -4.587583 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101588 tlogG= -0.584497 logG= -0.686085 Density= 3.498557 ETOT(band)= -1.770775 trlgG= -2.467989 logG= -0.686085 TDE= -4.589203 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101183 tlogG= -0.587845 logG= -0.689029 Density= 3.497592 ETOT(band)= -1.773966 trlgG= -2.471903 logG= -0.689029 TDE= -4.589400 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101313 tlogG= -0.591418 logG= -0.692731 Density= 3.497739 ETOT(band)= -1.776091 trlgG= -2.479416 logG= -0.692731 TDE= -4.593328 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.102180 tlogG= -0.578172 logG= -0.680352 Density= 3.499913 ETOT(band)= -1.765303 trlgG= -2.458203 logG= -0.680352 TDE= -4.586239 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101720 tlogG= -0.582265 logG= -0.683985 Density= 3.498871 ETOT(band)= -1.768994 trlgG= -2.464399 logG= -0.683985 TDE= -4.587965 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101328 tlogG= -0.589699 logG= -0.691027 Density= 3.497877 ETOT(band)= -1.774824 trlgG= -2.475945 logG= -0.691027 TDE= -4.591671 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101914 tlogG= -0.580972 logG= -0.682886 Density= 3.499376 ETOT(band)= -1.767688 trlgG= -2.462161 logG= -0.682886 TDE= -4.587231 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101084 tlogG= -0.588257 logG= -0.689341 Density= 3.497450 ETOT(band)= -1.774404 trlgG= -2.471453 logG= -0.689341 TDE= -4.588523 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101537 tlogG= -0.585153 logG= -0.686690 Density= 3.498654 ETOT(band)= -1.771128 trlgG= -2.467357 logG= -0.686690 TDE= -4.588044 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102882 tlogG= -0.573826 logG= -0.676709 Density= 3.501563 ETOT(band)= -1.760842 trlgG= -2.452007 logG= -0.676709 TDE= -4.585010 logGD-logG0= -0.101424 tlogG= -0.587570 logG= -0.688994 Density= 3.498148 ETOT(band)= -1.773183 trlgG= -2.472637 logG= -0.688994 TDE= -4.590614 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101428 tlogG= -0.585689 logG= -0.687117 Density= 3.498606 ETOT(band)= -1.771577 trlgG= -2.466273 logG= -0.687117 TDE= -4.586494 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101330 tlogG= -0.587531 logG= -0.688861 Density= 3.498110 ETOT(band)= -1.773222 trlgG= -2.471043 logG= -0.688861 TDE= -4.589122 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101887 tlogG= -0.581948 logG= -0.683835 Density= 3.499427 ETOT(band)= -1.768273 trlgG= -2.463578 logG= -0.683835 TDE= -4.587741 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101415 tlogG= -0.587111 logG= -0.688526 Density= 3.498261 ETOT(band)= -1.772774 trlgG= -2.470997 logG= -0.688526 TDE= -4.589533 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101287 tlogG= -0.588145 logG= -0.689433 Density= 3.497863 ETOT(band)= -1.773863 trlgG= -2.472938 logG= -0.689433 TDE= -4.590248 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101245 tlogG= -0.587902 logG= -0.689147 Density= 3.498010 ETOT(band)= -1.773583 trlgG= -2.470805 logG= -0.689147 TDE= -4.588519 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101674 tlogG= -0.584320 logG= -0.685994 Density= 3.498864 ETOT(band)= -1.770361 trlgG= -2.467514 logG= -0.685994 TDE= -4.589066 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101055 tlogG= -0.590831 logG= -0.691885 Density= 3.497361 ETOT(band)= -1.776128 trlgG= -2.476804 logG= -0.691885 TDE= -4.591259 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.102456 tlogG= -0.577268 logG= -0.679724 Density= 3.500636 ETOT(band)= -1.764024 trlgG= -2.457073 logG= -0.679724 TDE= -4.586317 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101456 tlogG= -0.585033 logG= -0.686490 Density= 3.498284 ETOT(band)= -1.771411 trlgG= -2.468158 logG= -0.686490 TDE= -4.588748 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101683 tlogG= -0.582849 logG= -0.684533 Density= 3.499047 ETOT(band)= -1.769272 trlgG= -2.463647 logG= -0.684533 TDE= -4.586807 logGD-logG0= -0.102412 tlogG= -0.575557 logG= -0.677969 Density= 3.500433 ETOT(band)= -1.763080 trlgG= -2.454420 logG= -0.677969 TDE= -4.585256 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.100986 tlogG= -0.590981 logG= -0.691967 Density= 3.497135 ETOT(band)= -1.776475 trlgG= -2.477071 logG= -0.691967 TDE= -4.591263 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101605 tlogG= -0.582771 logG= -0.684375 Density= 3.498629 ETOT(band)= -1.769593 trlgG= -2.464536 logG= -0.684375 TDE= -4.587518 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102362 tlogG= -0.577439 logG= -0.679801 Density= 3.500351 ETOT(band)= -1.764375 trlgG= -2.457433 logG= -0.679801 TDE= -4.586371 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101260 tlogG= -0.585888 logG= -0.687148 Density= 3.497859 ETOT(band)= -1.772432 trlgG= -2.468242 logG= -0.687148 TDE= -4.587834 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.102270 tlogG= -0.577993 logG= -0.680263 Density= 3.500193 ETOT(band)= -1.764938 trlgG= -2.457806 logG= -0.680263 TDE= -4.586154 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101126 tlogG= -0.590418 logG= -0.691543 Density= 3.497370 ETOT(band)= -1.775832 trlgG= -2.476731 logG= -0.691543 TDE= -4.591534 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102644 tlogG= -0.574712 logG= -0.677356 Density= 3.500972 ETOT(band)= -1.761999 trlgG= -2.453128 logG= -0.677356 TDE= -4.585009 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 Sum of eigenvalues= -1156.48791269148 eV TrLogG= -1610.67686527102 eV Ratio to renormalize= 1.000395599674 rho-rho_expected=-0.066434463740 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 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 42) Finished k-point number 43 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834722754085418 0.831847214552309 0.835139517066631 0.831760041528508 0.835306943103768 0.831681973125068 0.834973538003049 0.831737032716167 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101333 tlogG= -0.587528 logG= -0.688861 Density= 3.498116 ETOT(band)= -1.773225 trlgG= -2.471046 logG= -0.688861 TDE= -4.589131 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101358 tlogG= -0.585536 logG= -0.686894 Density= 3.498103 ETOT(band)= -1.771981 trlgG= -2.467925 logG= -0.686894 TDE= -4.587966 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101552 tlogG= -0.584828 logG= -0.686380 Density= 3.498615 ETOT(band)= -1.770956 trlgG= -2.467652 logG= -0.686380 TDE= -4.588618 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102414 tlogG= -0.575554 logG= -0.677968 Density= 3.500439 ETOT(band)= -1.763083 trlgG= -2.454424 logG= -0.677968 TDE= -4.585265 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101290 tlogG= -0.587375 logG= -0.688665 Density= 3.497788 ETOT(band)= -1.773437 trlgG= -2.471844 logG= -0.688665 TDE= -4.589862 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101057 tlogG= -0.590828 logG= -0.691885 Density= 3.497367 ETOT(band)= -1.776131 trlgG= -2.476807 logG= -0.691885 TDE= -4.591267 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.102073 tlogG= -0.580321 logG= -0.682394 Density= 3.499748 ETOT(band)= -1.766890 trlgG= -2.461731 logG= -0.682394 TDE= -4.587592 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101418 tlogG= -0.587108 logG= -0.688526 Density= 3.498267 ETOT(band)= -1.772777 trlgG= -2.471000 logG= -0.688526 TDE= -4.589541 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101280 tlogG= -0.589804 logG= -0.691083 Density= 3.497690 ETOT(band)= -1.775100 trlgG= -2.476293 logG= -0.691083 TDE= -4.591814 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101723 tlogG= -0.582262 logG= -0.683984 Density= 3.498877 ETOT(band)= -1.768998 trlgG= -2.464403 logG= -0.683984 TDE= -4.587974 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101316 tlogG= -0.591414 logG= -0.692730 Density= 3.497745 ETOT(band)= -1.776094 trlgG= -2.479418 logG= -0.692730 TDE= -4.593335 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100989 tlogG= -0.590977 logG= -0.691966 Density= 3.497141 ETOT(band)= -1.776478 trlgG= -2.477074 logG= -0.691966 TDE= -4.591271 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102182 tlogG= -0.578169 logG= -0.680351 Density= 3.499920 ETOT(band)= -1.765307 trlgG= -2.458206 logG= -0.680351 TDE= -4.586247 logGD-logG0= -0.101458 tlogG= -0.585316 logG= -0.686774 Density= 3.498450 ETOT(band)= -1.771488 trlgG= -2.467490 logG= -0.686774 TDE= -4.587930 logGD-logG0= -0.100972 tlogG= -0.592783 logG= -0.693755 Density= 3.497052 ETOT(band)= -1.777745 trlgG= -2.480740 logG= -0.693755 TDE= -4.593076 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102094 tlogG= -0.578649 logG= -0.680743 Density= 3.499808 ETOT(band)= -1.765756 trlgG= -2.458659 logG= -0.680743 TDE= -4.586219 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101430 tlogG= -0.585686 logG= -0.687117 Density= 3.498612 ETOT(band)= -1.771580 trlgG= -2.466276 logG= -0.687117 TDE= -4.586503 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101767 tlogG= -0.581562 logG= -0.683329 Density= 3.499074 ETOT(band)= -1.768399 trlgG= -2.462669 logG= -0.683329 TDE= -4.587054 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101087 tlogG= -0.588253 logG= -0.689340 Density= 3.497456 ETOT(band)= -1.774407 trlgG= -2.471456 logG= -0.689340 TDE= -4.588532 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101426 tlogG= -0.587567 logG= -0.688993 Density= 3.498154 ETOT(band)= -1.773186 trlgG= -2.472640 logG= -0.688993 TDE= -4.590623 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101476 tlogG= -0.585442 logG= -0.686917 Density= 3.498608 ETOT(band)= -1.771399 trlgG= -2.467026 logG= -0.686917 TDE= -4.587449 logGD-logG0= -0.102007 tlogG= -0.578839 logG= -0.680846 Density= 3.499534 ETOT(band)= -1.766136 trlgG= -2.459053 logG= -0.680846 TDE= -4.586290 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101339 tlogG= -0.585533 logG= -0.686872 Density= 3.497986 ETOT(band)= -1.772061 trlgG= -2.468485 logG= -0.686872 TDE= -4.588454 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102458 tlogG= -0.577265 logG= -0.679723 Density= 3.500642 ETOT(band)= -1.764027 trlgG= -2.457076 logG= -0.679723 TDE= -4.586325 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101916 tlogG= -0.580969 logG= -0.682886 Density= 3.499382 ETOT(band)= -1.767691 trlgG= -2.462164 logG= -0.682886 TDE= -4.587239 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101247 tlogG= -0.587899 logG= -0.689146 Density= 3.498016 ETOT(band)= -1.773586 trlgG= -2.470808 logG= -0.689146 TDE= -4.588528 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102885 tlogG= -0.573823 logG= -0.676708 Density= 3.501570 ETOT(band)= -1.760845 trlgG= -2.452010 logG= -0.676708 TDE= -4.585018 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101128 tlogG= -0.590415 logG= -0.691543 Density= 3.497376 ETOT(band)= -1.775835 trlgG= -2.476733 logG= -0.691543 TDE= -4.591542 logGD-logG0= -0.101459 tlogG= -0.585030 logG= -0.686489 Density= 3.498290 ETOT(band)= -1.771414 trlgG= -2.468161 logG= -0.686489 TDE= -4.588757 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101607 tlogG= -0.582767 logG= -0.684375 Density= 3.498635 ETOT(band)= -1.769596 trlgG= -2.464540 logG= -0.684375 TDE= -4.587527 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101539 tlogG= -0.585150 logG= -0.686689 Density= 3.498660 ETOT(band)= -1.771132 trlgG= -2.467360 logG= -0.686689 TDE= -4.588053 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101331 tlogG= -0.589696 logG= -0.691027 Density= 3.497883 ETOT(band)= -1.774827 trlgG= -2.475947 logG= -0.691027 TDE= -4.591679 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101676 tlogG= -0.584317 logG= -0.685993 Density= 3.498870 ETOT(band)= -1.770365 trlgG= -2.467517 logG= -0.685993 TDE= -4.589075 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101509 tlogG= -0.583234 logG= -0.684743 Density= 3.498456 ETOT(band)= -1.770118 trlgG= -2.464464 logG= -0.684743 TDE= -4.586939 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101187 tlogG= -0.590285 logG= -0.691472 Density= 3.497586 ETOT(band)= -1.775524 trlgG= -2.476399 logG= -0.691472 TDE= -4.591447 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101197 tlogG= -0.586183 logG= -0.687380 Density= 3.497816 ETOT(band)= -1.772718 trlgG= -2.467204 logG= -0.687380 TDE= -4.586529 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101186 tlogG= -0.587842 logG= -0.689028 Density= 3.497598 ETOT(band)= -1.773969 trlgG= -2.471906 logG= -0.689028 TDE= -4.589408 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101263 tlogG= -0.585885 logG= -0.687147 Density= 3.497865 ETOT(band)= -1.772435 trlgG= -2.468246 logG= -0.687147 TDE= -4.587843 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101591 tlogG= -0.584494 logG= -0.686084 Density= 3.498563 ETOT(band)= -1.770778 trlgG= -2.467992 logG= -0.686084 TDE= -4.589212 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101686 tlogG= -0.582846 logG= -0.684532 Density= 3.499053 ETOT(band)= -1.769276 trlgG= -2.463651 logG= -0.684532 TDE= -4.586816 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101781 tlogG= -0.582412 logG= -0.684193 Density= 3.499210 ETOT(band)= -1.768811 trlgG= -2.463696 logG= -0.684193 TDE= -4.587326 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101128 tlogG= -0.592118 logG= -0.693245 Density= 3.497344 ETOT(band)= -1.776962 trlgG= -2.480024 logG= -0.693245 TDE= -4.593105 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101290 tlogG= -0.588142 logG= -0.689432 Density= 3.497869 ETOT(band)= -1.773866 trlgG= -2.472941 logG= -0.689432 TDE= -4.590257 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102273 tlogG= -0.577990 logG= -0.680262 Density= 3.500199 ETOT(band)= -1.764941 trlgG= -2.457808 logG= -0.680262 TDE= -4.586163 logGD-logG0= -0.102365 tlogG= -0.577435 logG= -0.679800 Density= 3.500357 ETOT(band)= -1.764378 trlgG= -2.457435 logG= -0.679800 TDE= -4.586379 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101889 tlogG= -0.581945 logG= -0.683834 Density= 3.499433 ETOT(band)= -1.768276 trlgG= -2.463581 logG= -0.683834 TDE= -4.587750 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101171 tlogG= -0.588681 logG= -0.689852 Density= 3.497654 ETOT(band)= -1.774471 trlgG= -2.472922 logG= -0.689852 TDE= -4.589645 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102646 tlogG= -0.574709 logG= -0.677355 Density= 3.500978 ETOT(band)= -1.762002 trlgG= -2.453131 logG= -0.677355 TDE= -4.585017 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 Sum of eigenvalues= -1156.49006642463 eV TrLogG= -1610.68203887025 eV Ratio to renormalize= 1.000393883730 rho-rho_expected=-0.066146412696 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 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= 105 38) Finished k-point number 39 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834725043591248 0.831849110924910 0.835141802984689 0.831761944917060 0.835309212133038 0.831683877708172 0.834975815839576 0.831738929434716 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101554 tlogG= -0.584832 logG= -0.686386 Density= 3.498619 ETOT(band)= -1.770961 trlgG= -2.467663 logG= -0.686386 TDE= -4.588627 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101059 tlogG= -0.590832 logG= -0.691890 Density= 3.497371 ETOT(band)= -1.776136 trlgG= -2.476817 logG= -0.691890 TDE= -4.591275 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101460 tlogG= -0.585320 logG= -0.686779 Density= 3.498454 ETOT(band)= -1.771493 trlgG= -2.467501 logG= -0.686779 TDE= -4.587938 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102008 tlogG= -0.578843 logG= -0.680851 Density= 3.499538 ETOT(band)= -1.766142 trlgG= -2.459064 logG= -0.680851 TDE= -4.586299 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100973 tlogG= -0.592787 logG= -0.693761 Density= 3.497055 ETOT(band)= -1.777750 trlgG= -2.480751 logG= -0.693761 TDE= -4.593084 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101918 tlogG= -0.580973 logG= -0.682891 Density= 3.499386 ETOT(band)= -1.767696 trlgG= -2.462175 logG= -0.682891 TDE= -4.587248 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101318 tlogG= -0.591418 logG= -0.692736 Density= 3.497749 ETOT(band)= -1.776099 trlgG= -2.479428 logG= -0.692736 TDE= -4.593343 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101173 tlogG= -0.588685 logG= -0.689857 Density= 3.497658 ETOT(band)= -1.774476 trlgG= -2.472934 logG= -0.689857 TDE= -4.589654 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101511 tlogG= -0.583238 logG= -0.684749 Density= 3.498460 ETOT(band)= -1.770123 trlgG= -2.464475 logG= -0.684749 TDE= -4.586948 logGD-logG0= -0.102648 tlogG= -0.574713 logG= -0.677361 Density= 3.500982 ETOT(band)= -1.762007 trlgG= -2.453142 logG= -0.677361 TDE= -4.585026 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101281 tlogG= -0.589808 logG= -0.691089 Density= 3.497694 ETOT(band)= -1.775105 trlgG= -2.476304 logG= -0.691089 TDE= -4.591822 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101249 tlogG= -0.587903 logG= -0.689152 Density= 3.498020 ETOT(band)= -1.773591 trlgG= -2.470819 logG= -0.689152 TDE= -4.588536 logGD-logG0= -0.102184 tlogG= -0.578173 logG= -0.680357 Density= 3.499923 ETOT(band)= -1.765312 trlgG= -2.458217 logG= -0.680357 TDE= -4.586256 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101199 tlogG= -0.586187 logG= -0.687386 Density= 3.497820 ETOT(band)= -1.772723 trlgG= -2.467215 logG= -0.687386 TDE= -4.586537 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101291 tlogG= -0.587379 logG= -0.688670 Density= 3.497792 ETOT(band)= -1.773442 trlgG= -2.471855 logG= -0.688670 TDE= -4.589871 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101264 tlogG= -0.585889 logG= -0.687153 Density= 3.497869 ETOT(band)= -1.772441 trlgG= -2.468257 logG= -0.687153 TDE= -4.587851 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.102887 tlogG= -0.573827 logG= -0.676714 Density= 3.501573 ETOT(band)= -1.760850 trlgG= -2.452021 logG= -0.676714 TDE= -4.585027 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101769 tlogG= -0.581566 logG= -0.683335 Density= 3.499078 ETOT(band)= -1.768404 trlgG= -2.462680 logG= -0.683335 TDE= -4.587063 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101360 tlogG= -0.585540 logG= -0.686900 Density= 3.498107 ETOT(band)= -1.771986 trlgG= -2.467936 logG= -0.686900 TDE= -4.587974 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101461 tlogG= -0.585034 logG= -0.686495 Density= 3.498294 ETOT(band)= -1.771419 trlgG= -2.468172 logG= -0.686495 TDE= -4.588766 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101335 tlogG= -0.587532 logG= -0.688867 Density= 3.498120 ETOT(band)= -1.773230 trlgG= -2.471057 logG= -0.688867 TDE= -4.589139 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101129 tlogG= -0.592122 logG= -0.693251 Density= 3.497348 ETOT(band)= -1.776967 trlgG= -2.480035 logG= -0.693251 TDE= -4.593113 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101291 tlogG= -0.588146 logG= -0.689438 Density= 3.497873 ETOT(band)= -1.773871 trlgG= -2.472952 logG= -0.689438 TDE= -4.590265 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101187 tlogG= -0.587846 logG= -0.689034 Density= 3.497602 ETOT(band)= -1.773974 trlgG= -2.471917 logG= -0.689034 TDE= -4.589417 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101891 tlogG= -0.581949 logG= -0.683840 Density= 3.499437 ETOT(band)= -1.768281 trlgG= -2.463593 logG= -0.683840 TDE= -4.587758 logGD-logG0= -0.102367 tlogG= -0.577439 logG= -0.679806 Density= 3.500361 ETOT(band)= -1.764383 trlgG= -2.457446 logG= -0.679806 TDE= -4.586387 logGD-logG0= -0.101724 tlogG= -0.582266 logG= -0.683990 Density= 3.498880 ETOT(band)= -1.769003 trlgG= -2.464414 logG= -0.683990 TDE= -4.587982 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101189 tlogG= -0.590289 logG= -0.691478 Density= 3.497590 ETOT(band)= -1.775529 trlgG= -2.476409 logG= -0.691478 TDE= -4.591455 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101419 tlogG= -0.587112 logG= -0.688531 Density= 3.498270 ETOT(band)= -1.772782 trlgG= -2.471011 logG= -0.688531 TDE= -4.589550 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101609 tlogG= -0.582772 logG= -0.684380 Density= 3.498639 ETOT(band)= -1.769601 trlgG= -2.464551 logG= -0.684380 TDE= -4.587535 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101678 tlogG= -0.584321 logG= -0.685999 Density= 3.498874 ETOT(band)= -1.770370 trlgG= -2.467528 logG= -0.685999 TDE= -4.589083 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101333 tlogG= -0.589700 logG= -0.691032 Density= 3.497887 ETOT(band)= -1.774832 trlgG= -2.475957 logG= -0.691032 TDE= -4.591687 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101477 tlogG= -0.585446 logG= -0.686923 Density= 3.498612 ETOT(band)= -1.771405 trlgG= -2.467038 logG= -0.686923 TDE= -4.587458 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101340 tlogG= -0.585537 logG= -0.686878 Density= 3.497990 ETOT(band)= -1.772066 trlgG= -2.468496 logG= -0.686878 TDE= -4.588463 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102274 tlogG= -0.577994 logG= -0.680268 Density= 3.500203 ETOT(band)= -1.764947 trlgG= -2.457819 logG= -0.680268 TDE= -4.586171 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102074 tlogG= -0.580325 logG= -0.682399 Density= 3.499752 ETOT(band)= -1.766896 trlgG= -2.461742 logG= -0.682399 TDE= -4.587601 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102095 tlogG= -0.578653 logG= -0.680749 Density= 3.499812 ETOT(band)= -1.765761 trlgG= -2.458671 logG= -0.680749 TDE= -4.586228 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101432 tlogG= -0.585690 logG= -0.687122 Density= 3.498616 ETOT(band)= -1.771586 trlgG= -2.466288 logG= -0.687122 TDE= -4.586512 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101428 tlogG= -0.587571 logG= -0.688999 Density= 3.498158 ETOT(band)= -1.773191 trlgG= -2.472651 logG= -0.688999 TDE= -4.590631 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101130 tlogG= -0.590419 logG= -0.691548 Density= 3.497379 ETOT(band)= -1.775840 trlgG= -2.476744 logG= -0.691548 TDE= -4.591550 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101088 tlogG= -0.588258 logG= -0.689346 Density= 3.497460 ETOT(band)= -1.774412 trlgG= -2.471467 logG= -0.689346 TDE= -4.588540 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101592 tlogG= -0.584498 logG= -0.686090 Density= 3.498567 ETOT(band)= -1.770783 trlgG= -2.468003 logG= -0.686090 TDE= -4.589221 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102416 tlogG= -0.575558 logG= -0.677974 Density= 3.500443 ETOT(band)= -1.763088 trlgG= -2.454435 logG= -0.677974 TDE= -4.585274 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101687 tlogG= -0.582850 logG= -0.684538 Density= 3.499057 ETOT(band)= -1.769281 trlgG= -2.463663 logG= -0.684538 TDE= -4.586825 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101541 tlogG= -0.585154 logG= -0.686695 Density= 3.498664 ETOT(band)= -1.771137 trlgG= -2.467372 logG= -0.686695 TDE= -4.588062 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102460 tlogG= -0.577269 logG= -0.679729 Density= 3.500646 ETOT(band)= -1.764032 trlgG= -2.457087 logG= -0.679729 TDE= -4.586334 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100990 tlogG= -0.590982 logG= -0.691972 Density= 3.497145 ETOT(band)= -1.776483 trlgG= -2.477085 logG= -0.691972 TDE= -4.591279 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101783 tlogG= -0.582416 logG= -0.684199 Density= 3.499214 ETOT(band)= -1.768816 trlgG= -2.463707 logG= -0.684199 TDE= -4.587335 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.49337800028 eV TrLogG= -1610.69127341397 eV Ratio to renormalize= 1.000392776856 rho-rho_expected=-0.065960604065 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 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= 105 16) Finished k-point number 17 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834726003512557 0.831850325142797 0.835142775852674 0.831763154732347 0.835310162723328 0.831685097020736 0.834976774639276 0.831740145568734 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101429 tlogG= -0.587571 logG= -0.688999 Density= 3.498159 ETOT(band)= -1.773192 trlgG= -2.472652 logG= -0.688999 TDE= -4.590633 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100991 tlogG= -0.590981 logG= -0.691972 Density= 3.497147 ETOT(band)= -1.776484 trlgG= -2.477085 logG= -0.691972 TDE= -4.591281 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100974 tlogG= -0.592787 logG= -0.693761 Density= 3.497057 ETOT(band)= -1.777751 trlgG= -2.480751 logG= -0.693761 TDE= -4.593086 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101335 tlogG= -0.587531 logG= -0.688867 Density= 3.498121 ETOT(band)= -1.773231 trlgG= -2.471058 logG= -0.688867 TDE= -4.589141 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101199 tlogG= -0.586187 logG= -0.687386 Density= 3.497822 ETOT(band)= -1.772724 trlgG= -2.467216 logG= -0.687386 TDE= -4.586539 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101059 tlogG= -0.590831 logG= -0.691891 Density= 3.497373 ETOT(band)= -1.776136 trlgG= -2.476818 logG= -0.691891 TDE= -4.591277 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101292 tlogG= -0.587378 logG= -0.688670 Density= 3.497794 ETOT(band)= -1.773442 trlgG= -2.471856 logG= -0.688670 TDE= -4.589873 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101130 tlogG= -0.592121 logG= -0.693251 Density= 3.497349 ETOT(band)= -1.776968 trlgG= -2.480035 logG= -0.693251 TDE= -4.593115 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101919 tlogG= -0.580973 logG= -0.682891 Density= 3.499387 ETOT(band)= -1.767697 trlgG= -2.462176 logG= -0.682891 TDE= -4.587250 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101360 tlogG= -0.585540 logG= -0.686900 Density= 3.498109 ETOT(band)= -1.771987 trlgG= -2.467937 logG= -0.686900 TDE= -4.587976 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102648 tlogG= -0.574713 logG= -0.677361 Density= 3.500983 ETOT(band)= -1.762008 trlgG= -2.453142 logG= -0.677361 TDE= -4.585027 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101511 tlogG= -0.583237 logG= -0.684749 Density= 3.498462 ETOT(band)= -1.770124 trlgG= -2.464476 logG= -0.684749 TDE= -4.586950 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101250 tlogG= -0.587902 logG= -0.689152 Density= 3.498021 ETOT(band)= -1.773592 trlgG= -2.470820 logG= -0.689152 TDE= -4.588538 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101478 tlogG= -0.585445 logG= -0.686923 Density= 3.498613 ETOT(band)= -1.771405 trlgG= -2.467039 logG= -0.686923 TDE= -4.587460 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101282 tlogG= -0.589807 logG= -0.691089 Density= 3.497695 ETOT(band)= -1.775106 trlgG= -2.476304 logG= -0.691089 TDE= -4.591823 logGD-logG0= -0.101318 tlogG= -0.591418 logG= -0.692736 Density= 3.497750 ETOT(band)= -1.776099 trlgG= -2.479428 logG= -0.692736 TDE= -4.593344 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101555 tlogG= -0.584831 logG= -0.686386 Density= 3.498621 ETOT(band)= -1.770962 trlgG= -2.467664 logG= -0.686386 TDE= -4.588629 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102009 tlogG= -0.578843 logG= -0.680852 Density= 3.499539 ETOT(band)= -1.766142 trlgG= -2.459065 logG= -0.680852 TDE= -4.586301 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101188 tlogG= -0.587846 logG= -0.689034 Density= 3.497604 ETOT(band)= -1.773974 trlgG= -2.471918 logG= -0.689034 TDE= -4.589419 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102887 tlogG= -0.573827 logG= -0.676714 Density= 3.501575 ETOT(band)= -1.760851 trlgG= -2.452021 logG= -0.676714 TDE= -4.585029 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101891 tlogG= -0.581948 logG= -0.683840 Density= 3.499438 ETOT(band)= -1.768282 trlgG= -2.463593 logG= -0.683840 TDE= -4.587760 logGD-logG0= -0.101460 tlogG= -0.585319 logG= -0.686780 Density= 3.498455 ETOT(band)= -1.771494 trlgG= -2.467502 logG= -0.686780 TDE= -4.587940 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102185 tlogG= -0.578172 logG= -0.680357 Density= 3.499925 ETOT(band)= -1.765312 trlgG= -2.458217 logG= -0.680357 TDE= -4.586258 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101292 tlogG= -0.588146 logG= -0.689438 Density= 3.497874 ETOT(band)= -1.773872 trlgG= -2.472953 logG= -0.689438 TDE= -4.590267 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102096 tlogG= -0.578653 logG= -0.680749 Density= 3.499813 ETOT(band)= -1.765762 trlgG= -2.458672 logG= -0.680749 TDE= -4.586230 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101341 tlogG= -0.585537 logG= -0.686878 Density= 3.497992 ETOT(band)= -1.772066 trlgG= -2.468497 logG= -0.686878 TDE= -4.588465 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101089 tlogG= -0.588257 logG= -0.689346 Density= 3.497461 ETOT(band)= -1.774413 trlgG= -2.471468 logG= -0.689346 TDE= -4.588542 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101770 tlogG= -0.581565 logG= -0.683335 Density= 3.499079 ETOT(band)= -1.768405 trlgG= -2.462681 logG= -0.683335 TDE= -4.587065 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101542 tlogG= -0.585153 logG= -0.686695 Density= 3.498665 ETOT(band)= -1.771137 trlgG= -2.467373 logG= -0.686695 TDE= -4.588064 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101725 tlogG= -0.582265 logG= -0.683990 Density= 3.498882 ETOT(band)= -1.769003 trlgG= -2.464414 logG= -0.683990 TDE= -4.587984 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101593 tlogG= -0.584497 logG= -0.686090 Density= 3.498569 ETOT(band)= -1.770784 trlgG= -2.468004 logG= -0.686090 TDE= -4.589223 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101189 tlogG= -0.590289 logG= -0.691478 logGD-logG0= -0.102367 tlogG= -0.577439 logG= -0.679806 Density= 3.497591 ETOT(band)= -1.775530 trlgG= -2.476410 logG= -0.691478 TDE= -4.591456 Density= 3.500363 ETOT(band)= -1.764383 trlgG= -2.457447 logG= -0.679806 TDE= -4.586389 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101433 tlogG= -0.585690 logG= -0.687122 Density= 3.498617 ETOT(band)= -1.771586 trlgG= -2.466289 logG= -0.687122 TDE= -4.586514 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101333 tlogG= -0.589699 logG= -0.691032 Density= 3.497889 ETOT(band)= -1.774833 trlgG= -2.475958 logG= -0.691032 TDE= -4.591688 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102075 tlogG= -0.580324 logG= -0.682399 Density= 3.499753 ETOT(band)= -1.766896 trlgG= -2.461743 logG= -0.682399 TDE= -4.587603 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101679 tlogG= -0.584320 logG= -0.685999 Density= 3.498876 ETOT(band)= -1.770370 trlgG= -2.467529 logG= -0.685999 TDE= -4.589085 logGD-logG0= -0.101173 tlogG= -0.588684 logG= -0.689857 Density= 3.497659 ETOT(band)= -1.774477 trlgG= -2.472934 logG= -0.689857 TDE= -4.589656 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101688 tlogG= -0.582850 logG= -0.684538 Density= 3.499058 ETOT(band)= -1.769281 trlgG= -2.463664 logG= -0.684538 TDE= -4.586827 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101130 tlogG= -0.590418 logG= -0.691548 Density= 3.497381 ETOT(band)= -1.775840 trlgG= -2.476744 logG= -0.691548 TDE= -4.591552 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102460 tlogG= -0.577268 logG= -0.679729 Density= 3.500648 ETOT(band)= -1.764033 trlgG= -2.457087 logG= -0.679729 TDE= -4.586336 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101265 tlogG= -0.585888 logG= -0.687153 Density= 3.497871 ETOT(band)= -1.772441 trlgG= -2.468258 logG= -0.687153 TDE= -4.587853 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.102275 tlogG= -0.577993 logG= -0.680268 Density= 3.500204 ETOT(band)= -1.764947 trlgG= -2.457820 logG= -0.680268 TDE= -4.586173 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101610 tlogG= -0.582771 logG= -0.684380 Density= 3.498640 ETOT(band)= -1.769602 trlgG= -2.464552 logG= -0.684380 TDE= -4.587537 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101783 tlogG= -0.582416 logG= -0.684199 Density= 3.499216 ETOT(band)= -1.768816 trlgG= -2.463708 logG= -0.684199 TDE= -4.587337 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101461 tlogG= -0.585033 logG= -0.686495 Density= 3.498295 ETOT(band)= -1.771420 trlgG= -2.468173 logG= -0.686495 TDE= -4.588768 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102416 tlogG= -0.575557 logG= -0.677974 Density= 3.500445 ETOT(band)= -1.763089 trlgG= -2.454436 logG= -0.677974 TDE= -4.585276 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101420 tlogG= -0.587111 logG= -0.688531 Density= 3.498272 ETOT(band)= -1.772783 trlgG= -2.471012 logG= -0.688531 TDE= -4.589552 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.49376356324 eV TrLogG= -1610.69256530607 eV Ratio to renormalize= 1.000392341397 rho-rho_expected=-0.065887504343 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 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 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= 105 37) Finished k-point number 38 1 with #bands= 106 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= 105 7) Finished k-point number 8 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 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= 105 18) Finished k-point number 19 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834727588643454 0.831851823175800 0.835144404187761 0.831764639602279 0.835311729538947 0.831686597848473 0.834978353489157 0.831741634508055 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101283 tlogG= -0.589814 logG= -0.691098 Density= 3.497699 ETOT(band)= -1.775111 trlgG= -2.476317 logG= -0.691098 TDE= -4.591830 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101201 tlogG= -0.586194 logG= -0.687395 Density= 3.497825 ETOT(band)= -1.772729 trlgG= -2.467229 logG= -0.687395 TDE= -4.586547 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101556 tlogG= -0.584838 logG= -0.686395 Density= 3.498624 ETOT(band)= -1.770967 trlgG= -2.467678 logG= -0.686395 TDE= -4.588636 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100976 tlogG= -0.592794 logG= -0.693770 Density= 3.497060 ETOT(band)= -1.777755 trlgG= -2.480764 logG= -0.693770 TDE= -4.593093 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101920 tlogG= -0.580980 logG= -0.682900 Density= 3.499391 ETOT(band)= -1.767701 trlgG= -2.462189 logG= -0.682900 TDE= -4.587257 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101342 tlogG= -0.585544 logG= -0.686887 Density= 3.497995 ETOT(band)= -1.772071 trlgG= -2.468510 logG= -0.686887 TDE= -4.588472 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101785 tlogG= -0.582423 logG= -0.684208 Density= 3.499219 ETOT(band)= -1.768821 trlgG= -2.463722 logG= -0.684208 TDE= -4.587345 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101320 tlogG= -0.591425 logG= -0.692745 Density= 3.497754 ETOT(band)= -1.776104 trlgG= -2.479441 logG= -0.692745 TDE= -4.593351 logGD-logG0= -0.102462 tlogG= -0.577276 logG= -0.679738 Density= 3.500651 ETOT(band)= -1.764038 trlgG= -2.457101 logG= -0.679738 TDE= -4.586343 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101337 tlogG= -0.587539 logG= -0.688875 Density= 3.498125 ETOT(band)= -1.773236 trlgG= -2.471071 logG= -0.688875 TDE= -4.589149 logGD-logG0= -0.101543 tlogG= -0.585160 logG= -0.686704 Density= 3.498669 ETOT(band)= -1.771142 trlgG= -2.467386 logG= -0.686704 TDE= -4.588072 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101362 tlogG= -0.585547 logG= -0.686909 Density= 3.498112 ETOT(band)= -1.771992 trlgG= -2.467951 logG= -0.686909 TDE= -4.587984 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100993 tlogG= -0.590988 logG= -0.691981 Density= 3.497150 ETOT(band)= -1.776488 trlgG= -2.477099 logG= -0.691981 TDE= -4.591288 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101251 tlogG= -0.587909 logG= -0.689161 Density= 3.498025 ETOT(band)= -1.773596 trlgG= -2.470833 logG= -0.689161 TDE= -4.588545 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101293 tlogG= -0.587386 logG= -0.688679 Density= 3.497797 ETOT(band)= -1.773447 trlgG= -2.471869 logG= -0.688679 TDE= -4.589880 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102010 tlogG= -0.578850 logG= -0.680860 Density= 3.499543 ETOT(band)= -1.766147 trlgG= -2.459079 logG= -0.680860 TDE= -4.586309 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101422 tlogG= -0.587118 logG= -0.688540 Density= 3.498275 ETOT(band)= -1.772788 trlgG= -2.471026 logG= -0.688540 TDE= -4.589559 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101771 tlogG= -0.581573 logG= -0.683344 Density= 3.499083 ETOT(band)= -1.768409 trlgG= -2.462695 logG= -0.683344 TDE= -4.587072 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101061 tlogG= -0.590839 logG= -0.691899 Density= 3.497376 ETOT(band)= -1.776141 trlgG= -2.476831 logG= -0.691899 TDE= -4.591284 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102186 tlogG= -0.578180 logG= -0.680366 Density= 3.499928 ETOT(band)= -1.765317 trlgG= -2.458231 logG= -0.680366 TDE= -4.586265 logGD-logG0= -0.101189 tlogG= -0.587853 logG= -0.689042 Density= 3.497607 ETOT(band)= -1.773979 trlgG= -2.471931 logG= -0.689042 TDE= -4.589426 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102369 tlogG= -0.577446 logG= -0.679815 Density= 3.500366 ETOT(band)= -1.764388 trlgG= -2.457460 logG= -0.679815 TDE= -4.586397 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101132 tlogG= -0.592128 logG= -0.693260 Density= 3.497353 ETOT(band)= -1.776972 trlgG= -2.480048 logG= -0.693260 TDE= -4.593122 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102650 tlogG= -0.574720 logG= -0.677370 Density= 3.500987 ETOT(band)= -1.762012 trlgG= -2.453156 logG= -0.677370 TDE= -4.585035 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101175 tlogG= -0.588691 logG= -0.689866 Density= 3.497663 ETOT(band)= -1.774482 trlgG= -2.472948 logG= -0.689866 TDE= -4.589663 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101266 tlogG= -0.585896 logG= -0.687162 Density= 3.497874 ETOT(band)= -1.772446 trlgG= -2.468271 logG= -0.687162 TDE= -4.587861 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101462 tlogG= -0.585327 logG= -0.686788 Density= 3.498459 ETOT(band)= -1.771498 trlgG= -2.467516 logG= -0.686788 TDE= -4.587948 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101430 tlogG= -0.587578 logG= -0.689008 Density= 3.498163 ETOT(band)= -1.773196 trlgG= -2.472666 logG= -0.689008 TDE= -4.590641 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102076 tlogG= -0.580332 logG= -0.682408 Density= 3.499757 ETOT(band)= -1.766901 trlgG= -2.461756 logG= -0.682408 TDE= -4.587610 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101680 tlogG= -0.584327 logG= -0.686008 Density= 3.498879 ETOT(band)= -1.770375 trlgG= -2.467542 logG= -0.686008 TDE= -4.589093 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101513 tlogG= -0.583244 logG= -0.684757 Density= 3.498465 ETOT(band)= -1.770128 trlgG= -2.464490 logG= -0.684757 TDE= -4.586958 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102098 tlogG= -0.578660 logG= -0.680758 Density= 3.499817 ETOT(band)= -1.765766 trlgG= -2.458686 logG= -0.680758 TDE= -4.586238 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101434 tlogG= -0.585697 logG= -0.687131 Density= 3.498621 ETOT(band)= -1.771591 trlgG= -2.466302 logG= -0.687131 TDE= -4.586522 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102889 tlogG= -0.573834 logG= -0.676722 Density= 3.501579 ETOT(band)= -1.760855 trlgG= -2.452035 logG= -0.676722 TDE= -4.585036 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101090 tlogG= -0.588264 logG= -0.689355 Density= 3.497465 ETOT(band)= -1.774418 trlgG= -2.471481 logG= -0.689355 TDE= -4.588550 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101893 tlogG= -0.581956 logG= -0.683848 Density= 3.499442 ETOT(band)= -1.768287 trlgG= -2.463607 logG= -0.683848 TDE= -4.587768 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102418 tlogG= -0.575565 logG= -0.677983 Density= 3.500448 ETOT(band)= -1.763094 trlgG= -2.454450 logG= -0.677983 TDE= -4.585284 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101611 tlogG= -0.582778 logG= -0.684389 Density= 3.498644 ETOT(band)= -1.769606 trlgG= -2.464565 logG= -0.684389 TDE= -4.587545 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101689 tlogG= -0.582857 logG= -0.684547 Density= 3.499061 ETOT(band)= -1.769286 trlgG= -2.463677 logG= -0.684547 TDE= -4.586835 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102277 tlogG= -0.578000 logG= -0.680277 Density= 3.500208 ETOT(band)= -1.764952 trlgG= -2.457833 logG= -0.680277 TDE= -4.586180 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101294 tlogG= -0.588153 logG= -0.689446 Density= 3.497878 ETOT(band)= -1.773876 trlgG= -2.472967 logG= -0.689446 TDE= -4.590275 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101132 tlogG= -0.590425 logG= -0.691557 Density= 3.497385 ETOT(band)= -1.775845 trlgG= -2.476757 logG= -0.691557 TDE= -4.591559 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101726 tlogG= -0.582272 logG= -0.683999 Density= 3.498885 ETOT(band)= -1.769008 trlgG= -2.464428 logG= -0.683999 TDE= -4.587992 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101463 tlogG= -0.585041 logG= -0.686503 Density= 3.498299 ETOT(band)= -1.771424 trlgG= -2.468186 logG= -0.686503 TDE= -4.588775 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101480 tlogG= -0.585452 logG= -0.686932 Density= 3.498617 ETOT(band)= -1.771410 trlgG= -2.467052 logG= -0.686932 TDE= -4.587467 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101335 tlogG= -0.589706 logG= -0.691041 Density= 3.497892 ETOT(band)= -1.774837 trlgG= -2.475971 logG= -0.691041 TDE= -4.591695 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101594 tlogG= -0.584504 logG= -0.686099 Density= 3.498572 ETOT(band)= -1.770788 trlgG= -2.468017 logG= -0.686099 TDE= -4.589230 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101191 tlogG= -0.590296 logG= -0.691487 Density= 3.497595 ETOT(band)= -1.775534 trlgG= -2.476423 logG= -0.691487 TDE= -4.591464 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.49675618609 eV TrLogG= -1610.70318981151 eV Ratio to renormalize= 1.000391343083 rho-rho_expected=-0.065719918966 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 8) Finished k-point number 9 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834722425450768 0.831846473748328 0.835139230740375 0.831759290512652 0.835306607689082 0.831681223418319 0.834973203124338 0.831736268940293 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101510 tlogG= -0.583249 logG= -0.684759 Density= 3.498458 ETOT(band)= -1.770124 trlgG= -2.464486 logG= -0.684759 TDE= -4.586948 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101431 tlogG= -0.585701 logG= -0.687133 Density= 3.498614 ETOT(band)= -1.771587 trlgG= -2.466299 logG= -0.687133 TDE= -4.586512 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100973 tlogG= -0.592798 logG= -0.693771 Density= 3.497053 ETOT(band)= -1.777752 trlgG= -2.480762 logG= -0.693771 TDE= -4.593084 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102183 tlogG= -0.578184 logG= -0.680367 Density= 3.499921 ETOT(band)= -1.765313 trlgG= -2.458228 logG= -0.680367 TDE= -4.586256 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101058 tlogG= -0.590843 logG= -0.691901 Density= 3.497369 ETOT(band)= -1.776138 trlgG= -2.476829 logG= -0.691901 TDE= -4.591275 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101334 tlogG= -0.587543 logG= -0.688877 Density= 3.498118 ETOT(band)= -1.773232 trlgG= -2.471069 logG= -0.688877 TDE= -4.589139 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101291 tlogG= -0.587390 logG= -0.688681 Density= 3.497790 ETOT(band)= -1.773443 trlgG= -2.471867 logG= -0.688681 TDE= -4.589870 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101198 tlogG= -0.586198 logG= -0.687396 Density= 3.497818 ETOT(band)= -1.772725 trlgG= -2.467226 logG= -0.687396 TDE= -4.586537 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102095 tlogG= -0.578664 logG= -0.680759 Density= 3.499810 ETOT(band)= -1.765763 trlgG= -2.458682 logG= -0.680759 TDE= -4.586228 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101264 tlogG= -0.585900 logG= -0.687163 Density= 3.497867 ETOT(band)= -1.772442 trlgG= -2.468268 logG= -0.687163 TDE= -4.587851 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101248 tlogG= -0.587914 logG= -0.689162 Density= 3.498018 ETOT(band)= -1.773593 trlgG= -2.470831 logG= -0.689162 TDE= -4.588536 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101129 tlogG= -0.592133 logG= -0.693262 Density= 3.497346 ETOT(band)= -1.776969 trlgG= -2.480047 logG= -0.693262 TDE= -4.593113 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101317 tlogG= -0.591430 logG= -0.692746 Density= 3.497747 ETOT(band)= -1.776101 trlgG= -2.479440 logG= -0.692746 TDE= -4.593343 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101340 tlogG= -0.585548 logG= -0.686888 Density= 3.497988 ETOT(band)= -1.772067 trlgG= -2.468508 logG= -0.686888 TDE= -4.588463 logGD-logG0= -0.101332 tlogG= -0.589711 logG= -0.691043 Density= 3.497885 ETOT(band)= -1.774834 trlgG= -2.475969 logG= -0.691043 TDE= -4.591687 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102007 tlogG= -0.578854 logG= -0.680862 Density= 3.499536 ETOT(band)= -1.766143 trlgG= -2.459076 logG= -0.680862 TDE= -4.586299 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102415 tlogG= -0.575569 logG= -0.677984 Density= 3.500441 ETOT(band)= -1.763090 trlgG= -2.454447 logG= -0.677984 TDE= -4.585274 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101280 tlogG= -0.589819 logG= -0.691099 Density= 3.497692 ETOT(band)= -1.775107 trlgG= -2.476316 logG= -0.691099 TDE= -4.591822 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101359 tlogG= -0.585551 logG= -0.686910 Density= 3.498105 ETOT(band)= -1.771988 trlgG= -2.467947 logG= -0.686910 TDE= -4.587974 logGD-logG0= -0.101553 tlogG= -0.584843 logG= -0.686396 Density= 3.498617 ETOT(band)= -1.770963 trlgG= -2.467675 logG= -0.686396 TDE= -4.588626 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101591 tlogG= -0.584509 logG= -0.686100 Density= 3.498565 ETOT(band)= -1.770785 trlgG= -2.468015 logG= -0.686100 TDE= -4.589221 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102274 tlogG= -0.578005 logG= -0.680278 Density= 3.500201 ETOT(band)= -1.764948 trlgG= -2.457831 logG= -0.680278 TDE= -4.586171 logGD-logG0= -0.101459 tlogG= -0.585331 logG= -0.686790 Density= 3.498452 ETOT(band)= -1.771495 trlgG= -2.467513 logG= -0.686790 TDE= -4.587938 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101677 tlogG= -0.584332 logG= -0.686009 Density= 3.498872 ETOT(band)= -1.770371 trlgG= -2.467540 logG= -0.686009 TDE= -4.589083 logGD-logG0= -0.101917 tlogG= -0.580984 logG= -0.682902 Density= 3.499384 ETOT(band)= -1.767698 trlgG= -2.462187 logG= -0.682902 TDE= -4.587248 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101768 tlogG= -0.581577 logG= -0.683345 Density= 3.499076 ETOT(band)= -1.768406 trlgG= -2.462692 logG= -0.683345 TDE= -4.587062 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102366 tlogG= -0.577450 logG= -0.679816 Density= 3.500359 ETOT(band)= -1.764385 trlgG= -2.457458 logG= -0.679816 TDE= -4.586387 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101188 tlogG= -0.590300 logG= -0.691488 Density= 3.497588 ETOT(band)= -1.775531 trlgG= -2.476421 logG= -0.691488 TDE= -4.591455 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101172 tlogG= -0.588696 logG= -0.689868 Density= 3.497656 ETOT(band)= -1.774478 trlgG= -2.472945 logG= -0.689868 TDE= -4.589654 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101088 tlogG= -0.588269 logG= -0.689356 Density= 3.497458 ETOT(band)= -1.774414 trlgG= -2.471479 logG= -0.689356 TDE= -4.588540 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101460 tlogG= -0.585045 logG= -0.686505 Density= 3.498292 ETOT(band)= -1.771421 trlgG= -2.468184 logG= -0.686505 TDE= -4.588765 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101608 tlogG= -0.582782 logG= -0.684391 Density= 3.498637 ETOT(band)= -1.769603 trlgG= -2.464562 logG= -0.684391 TDE= -4.587535 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101687 tlogG= -0.582861 logG= -0.684548 Density= 3.499055 ETOT(band)= -1.769283 trlgG= -2.463674 logG= -0.684548 TDE= -4.586824 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101540 tlogG= -0.585165 logG= -0.686705 Density= 3.498662 ETOT(band)= -1.771138 trlgG= -2.467383 logG= -0.686705 TDE= -4.588062 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101782 tlogG= -0.582427 logG= -0.684209 Density= 3.499212 ETOT(band)= -1.768818 trlgG= -2.463719 logG= -0.684209 TDE= -4.587335 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102886 tlogG= -0.573838 logG= -0.676724 Density= 3.501571 ETOT(band)= -1.760852 trlgG= -2.452033 logG= -0.676724 TDE= -4.585027 logGD-logG0= -0.101427 tlogG= -0.587582 logG= -0.689009 Density= 3.498156 ETOT(band)= -1.773193 trlgG= -2.472663 logG= -0.689009 TDE= -4.590631 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102073 tlogG= -0.580336 logG= -0.682410 Density= 3.499750 ETOT(band)= -1.766897 trlgG= -2.461754 logG= -0.682410 TDE= -4.587601 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101129 tlogG= -0.590430 logG= -0.691559 logGD-logG0= -0.101186 tlogG= -0.587857 logG= -0.689044 Density= 3.497600 ETOT(band)= -1.773975 trlgG= -2.471929 logG= -0.689044 TDE= -4.589417 Density= 3.497378 ETOT(band)= -1.775842 trlgG= -2.476756 logG= -0.691559 TDE= -4.591550 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101890 tlogG= -0.581960 logG= -0.683850 Density= 3.499435 ETOT(band)= -1.768283 trlgG= -2.463604 logG= -0.683850 TDE= -4.587758 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101477 tlogG= -0.585457 logG= -0.686933 Density= 3.498610 ETOT(band)= -1.771406 trlgG= -2.467049 logG= -0.686933 TDE= -4.587457 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101419 tlogG= -0.587123 logG= -0.688542 Density= 3.498268 ETOT(band)= -1.772784 trlgG= -2.471023 logG= -0.688542 TDE= -4.589549 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102459 tlogG= -0.577280 logG= -0.679739 Density= 3.500644 ETOT(band)= -1.764034 trlgG= -2.457099 logG= -0.679739 TDE= -4.586334 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102647 tlogG= -0.574724 logG= -0.677371 Density= 3.500980 ETOT(band)= -1.762009 trlgG= -2.453153 logG= -0.677371 TDE= -4.585025 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.100990 tlogG= -0.590993 logG= -0.691982 Density= 3.497143 ETOT(band)= -1.776485 trlgG= -2.477096 logG= -0.691982 TDE= -4.591279 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101291 tlogG= -0.588157 logG= -0.689448 Density= 3.497871 ETOT(band)= -1.773873 trlgG= -2.472964 logG= -0.689448 TDE= -4.590265 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101724 tlogG= -0.582277 logG= -0.684000 Density= 3.498878 ETOT(band)= -1.769004 trlgG= -2.464425 logG= -0.684000 TDE= -4.587982 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.49450469235 eV TrLogG= -1610.69785270282 eV Ratio to renormalize= 1.000393340162 rho-rho_expected=-0.066055165089 nargs= 1 argi=dmft2.def 42) Finished k-point number 43 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 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= 105 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 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= 0.834697855136715 0.831827165418391 0.835115031531698 0.831739773265889 0.835282216913049 0.831661817391922 0.834948738528279 0.831716909930241 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101539 tlogG= -0.584831 logG= -0.686371 Density= 3.498582 ETOT(band)= -1.770919 trlgG= -2.467600 logG= -0.686371 TDE= -4.588549 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101249 tlogG= -0.585888 logG= -0.687138 Density= 3.497832 ETOT(band)= -1.772397 trlgG= -2.468194 logG= -0.687138 TDE= -4.587774 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101672 tlogG= -0.582850 logG= -0.684522 Density= 3.499020 ETOT(band)= -1.769237 trlgG= -2.463596 logG= -0.684522 TDE= -4.586745 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101417 tlogG= -0.585689 logG= -0.687107 Density= 3.498579 ETOT(band)= -1.771542 trlgG= -2.466222 logG= -0.687107 TDE= -4.586432 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101234 tlogG= -0.587902 logG= -0.689136 Density= 3.497983 ETOT(band)= -1.773548 trlgG= -2.470758 logG= -0.689136 TDE= -4.588461 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100959 tlogG= -0.592787 logG= -0.693746 Density= 3.497019 ETOT(band)= -1.777707 trlgG= -2.480692 logG= -0.693746 TDE= -4.593011 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101266 tlogG= -0.589808 logG= -0.691074 Density= 3.497657 ETOT(band)= -1.775063 trlgG= -2.476249 logG= -0.691074 TDE= -4.591752 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101184 tlogG= -0.586186 logG= -0.687370 Density= 3.497783 ETOT(band)= -1.772680 trlgG= -2.467151 logG= -0.687370 TDE= -4.586459 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101276 tlogG= -0.587379 logG= -0.688655 Density= 3.497755 ETOT(band)= -1.773399 trlgG= -2.471793 logG= -0.688655 TDE= -4.589794 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101044 tlogG= -0.590832 logG= -0.691875 Density= 3.497335 ETOT(band)= -1.776093 trlgG= -2.476758 logG= -0.691875 TDE= -4.591201 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101445 tlogG= -0.585319 logG= -0.686764 Density= 3.498417 ETOT(band)= -1.771450 trlgG= -2.467437 logG= -0.686764 TDE= -4.587860 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101663 tlogG= -0.584321 logG= -0.685984 Density= 3.498837 ETOT(band)= -1.770327 trlgG= -2.467466 logG= -0.685984 TDE= -4.589006 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101320 tlogG= -0.587532 logG= -0.688851 Density= 3.498083 ETOT(band)= -1.773187 trlgG= -2.470995 logG= -0.688851 TDE= -4.589063 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101754 tlogG= -0.581566 logG= -0.683319 Density= 3.499041 ETOT(band)= -1.768361 trlgG= -2.462614 logG= -0.683319 TDE= -4.586982 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102259 tlogG= -0.577994 logG= -0.680253 Density= 3.500165 ETOT(band)= -1.764904 trlgG= -2.457760 logG= -0.680253 TDE= -4.586097 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101709 tlogG= -0.582266 logG= -0.683975 Density= 3.498843 ETOT(band)= -1.768960 trlgG= -2.464351 logG= -0.683975 TDE= -4.587905 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101413 tlogG= -0.587571 logG= -0.688984 Density= 3.498121 ETOT(band)= -1.773148 trlgG= -2.472590 logG= -0.688984 TDE= -4.590555 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101158 tlogG= -0.588684 logG= -0.689842 Density= 3.497621 ETOT(band)= -1.774433 trlgG= -2.472871 logG= -0.689842 TDE= -4.589577 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101526 tlogG= -0.585153 logG= -0.686679 Density= 3.498627 ETOT(band)= -1.771093 trlgG= -2.467307 logG= -0.686679 TDE= -4.587983 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102445 tlogG= -0.577269 logG= -0.679714 Density= 3.500609 ETOT(band)= -1.763990 trlgG= -2.457027 logG= -0.679714 TDE= -4.586259 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101496 tlogG= -0.583237 logG= -0.684733 Density= 3.498423 ETOT(band)= -1.770080 trlgG= -2.464409 logG= -0.684733 TDE= -4.586868 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101318 tlogG= -0.589700 logG= -0.691017 Density= 3.497850 ETOT(band)= -1.774790 trlgG= -2.475902 logG= -0.691017 TDE= -4.591616 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102169 tlogG= -0.578173 logG= -0.680342 logGD-logG0= -0.101993 tlogG= -0.578843 logG= -0.680836 Density= 3.499886 ETOT(band)= -1.765269 trlgG= -2.458157 logG= -0.680342 TDE= -4.586181 Density= 3.499501 ETOT(band)= -1.766098 trlgG= -2.458998 logG= -0.680836 TDE= -4.586219 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101276 tlogG= -0.588146 logG= -0.689423 Density= 3.497836 ETOT(band)= -1.773828 trlgG= -2.472890 logG= -0.689423 TDE= -4.590188 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101302 tlogG= -0.591419 logG= -0.692721 Density= 3.497711 ETOT(band)= -1.776057 trlgG= -2.479376 logG= -0.692721 TDE= -4.593275 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102633 tlogG= -0.574714 logG= -0.677346 Density= 3.500944 ETOT(band)= -1.761964 trlgG= -2.453081 logG= -0.677346 TDE= -4.584950 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101114 tlogG= -0.592122 logG= -0.693236 Density= 3.497311 ETOT(band)= -1.776925 trlgG= -2.479979 logG= -0.693236 TDE= -4.593042 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100976 tlogG= -0.590981 logG= -0.691957 Density= 3.497108 ETOT(band)= -1.776440 trlgG= -2.477025 logG= -0.691957 TDE= -4.591205 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101115 tlogG= -0.590419 logG= -0.691533 Density= 3.497343 ETOT(band)= -1.775797 trlgG= -2.476687 logG= -0.691533 TDE= -4.591478 logGD-logG0= -0.101876 tlogG= -0.581949 logG= -0.683824 Density= 3.499400 ETOT(band)= -1.768238 trlgG= -2.463530 logG= -0.683824 TDE= -4.587681 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101903 tlogG= -0.580973 logG= -0.682876 Density= 3.499349 ETOT(band)= -1.767653 trlgG= -2.462113 logG= -0.682876 TDE= -4.587171 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101446 tlogG= -0.585034 logG= -0.686479 Density= 3.498257 ETOT(band)= -1.771376 trlgG= -2.468109 logG= -0.686479 TDE= -4.588688 logGD-logG0= -0.101073 tlogG= -0.588257 logG= -0.689331 Density= 3.497423 ETOT(band)= -1.774369 trlgG= -2.471405 logG= -0.689331 TDE= -4.588464 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101768 tlogG= -0.582416 logG= -0.684183 Density= 3.499177 ETOT(band)= -1.768772 trlgG= -2.463644 logG= -0.684183 TDE= -4.587258 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101345 tlogG= -0.585540 logG= -0.686885 Density= 3.498070 ETOT(band)= -1.771943 trlgG= -2.467871 logG= -0.686885 TDE= -4.587895 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101174 tlogG= -0.590289 logG= -0.691463 Density= 3.497553 ETOT(band)= -1.775486 trlgG= -2.476351 logG= -0.691463 TDE= -4.591382 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101463 tlogG= -0.585445 logG= -0.686908 Density= 3.498575 ETOT(band)= -1.771361 trlgG= -2.466972 logG= -0.686908 TDE= -4.587378 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101577 tlogG= -0.584498 logG= -0.686075 Density= 3.498530 ETOT(band)= -1.770740 trlgG= -2.467941 logG= -0.686075 TDE= -4.589144 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101326 tlogG= -0.585537 logG= -0.686863 Density= 3.497953 ETOT(band)= -1.772022 trlgG= -2.468433 logG= -0.686863 TDE= -4.588386 logGD-logG0= -0.101594 tlogG= -0.582771 logG= -0.684365 Density= 3.498602 ETOT(band)= -1.769558 trlgG= -2.464488 logG= -0.684365 TDE= -4.587458 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102401 tlogG= -0.575558 logG= -0.677959 Density= 3.500406 ETOT(band)= -1.763045 trlgG= -2.454370 logG= -0.677959 TDE= -4.585194 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102059 tlogG= -0.580325 logG= -0.682384 Density= 3.499715 ETOT(band)= -1.766853 trlgG= -2.461680 logG= -0.682384 TDE= -4.587524 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101172 tlogG= -0.587846 logG= -0.689018 Density= 3.497565 ETOT(band)= -1.773931 trlgG= -2.471855 logG= -0.689018 TDE= -4.589340 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102351 tlogG= -0.577440 logG= -0.679791 Density= 3.500324 ETOT(band)= -1.764340 trlgG= -2.457387 logG= -0.679791 TDE= -4.586313 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102871 tlogG= -0.573828 logG= -0.676699 Density= 3.501536 ETOT(band)= -1.760808 trlgG= -2.451962 logG= -0.676699 TDE= -4.584953 logGD-logG0= -0.101405 tlogG= -0.587112 logG= -0.688516 Density= 3.498234 ETOT(band)= -1.772739 trlgG= -2.470950 logG= -0.688516 TDE= -4.589474 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.102080 tlogG= -0.578653 logG= -0.680734 Density= 3.499775 ETOT(band)= -1.765718 trlgG= -2.458605 logG= -0.680734 TDE= -4.586148 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 Sum of eigenvalues= -1156.46531776623 eV TrLogG= -1610.63158542337 eV Ratio to renormalize= 1.000403349508 rho-rho_expected=-0.067735396321 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= 105 25) Finished k-point number 26 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 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= 105 11) Finished k-point number 12 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 0) Finished k-point number 1 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= 0.834694443820595 0.831823405100530 0.835111598238252 0.831736015479571 0.835278855607859 0.831658031951336 0.834945320487068 0.831713149892656 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101264 tlogG= -0.589806 logG= -0.691070 Density= 3.497651 ETOT(band)= -1.775057 trlgG= -2.476239 logG= -0.691070 TDE= -4.591741 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101274 tlogG= -0.587377 logG= -0.688651 Density= 3.497749 ETOT(band)= -1.773393 trlgG= -2.471782 logG= -0.688651 TDE= -4.589783 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101300 tlogG= -0.591417 logG= -0.692717 Density= 3.497706 ETOT(band)= -1.776051 trlgG= -2.479366 logG= -0.692717 TDE= -4.593265 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101112 tlogG= -0.592120 logG= -0.693232 Density= 3.497305 ETOT(band)= -1.776919 trlgG= -2.479968 logG= -0.693232 TDE= -4.593031 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101274 tlogG= -0.588144 logG= -0.689418 Density= 3.497830 ETOT(band)= -1.773822 trlgG= -2.472878 logG= -0.689418 TDE= -4.590177 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101323 tlogG= -0.585535 logG= -0.686858 Density= 3.497948 ETOT(band)= -1.772016 trlgG= -2.468422 logG= -0.686858 TDE= -4.588374 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101707 tlogG= -0.582264 logG= -0.683970 Density= 3.498838 ETOT(band)= -1.768953 trlgG= -2.464340 logG= -0.683970 TDE= -4.587894 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102057 tlogG= -0.580323 logG= -0.682380 Density= 3.499709 ETOT(band)= -1.766847 trlgG= -2.461669 logG= -0.682380 TDE= -4.587512 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101991 tlogG= -0.578841 logG= -0.680832 Density= 3.499495 ETOT(band)= -1.766092 trlgG= -2.458986 logG= -0.680832 TDE= -4.586207 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101442 tlogG= -0.585317 logG= -0.686759 Density= 3.498411 ETOT(band)= -1.771443 trlgG= -2.467425 logG= -0.686759 TDE= -4.587848 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101155 tlogG= -0.588682 logG= -0.689837 Density= 3.497615 ETOT(band)= -1.774427 trlgG= -2.472859 logG= -0.689837 TDE= -4.589566 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101494 tlogG= -0.583235 logG= -0.684728 Density= 3.498418 ETOT(band)= -1.770073 trlgG= -2.464397 logG= -0.684728 TDE= -4.586856 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101524 tlogG= -0.585151 logG= -0.686674 Density= 3.498621 ETOT(band)= -1.771087 trlgG= -2.467295 logG= -0.686674 TDE= -4.587971 logGD-logG0= -0.100956 tlogG= -0.592785 logG= -0.693741 Density= 3.497013 ETOT(band)= -1.777701 trlgG= -2.480681 logG= -0.693741 TDE= -4.593000 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101170 tlogG= -0.587844 logG= -0.689014 Density= 3.497560 ETOT(band)= -1.773925 trlgG= -2.471843 logG= -0.689014 TDE= -4.589329 logGD-logG0= -0.101751 tlogG= -0.581563 logG= -0.683315 Density= 3.499035 ETOT(band)= -1.768355 trlgG= -2.462602 logG= -0.683315 TDE= -4.586970 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101873 tlogG= -0.581946 logG= -0.683820 Density= 3.499394 ETOT(band)= -1.768232 trlgG= -2.463518 logG= -0.683820 TDE= -4.587670 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101181 tlogG= -0.586184 logG= -0.687365 Density= 3.497778 ETOT(band)= -1.772673 trlgG= -2.467139 logG= -0.687365 TDE= -4.586448 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101901 tlogG= -0.580971 logG= -0.682872 Density= 3.499343 ETOT(band)= -1.767646 trlgG= -2.462102 logG= -0.682872 TDE= -4.587160 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101537 tlogG= -0.584829 logG= -0.686366 Density= 3.498577 ETOT(band)= -1.770912 trlgG= -2.467589 logG= -0.686366 TDE= -4.588538 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101342 tlogG= -0.585538 logG= -0.686880 Density= 3.498065 ETOT(band)= -1.771937 trlgG= -2.467859 logG= -0.686880 TDE= -4.587884 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102442 tlogG= -0.577267 logG= -0.679709 Density= 3.500603 ETOT(band)= -1.763983 trlgG= -2.457016 logG= -0.679709 TDE= -4.586248 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101415 tlogG= -0.585687 logG= -0.687102 Density= 3.498574 ETOT(band)= -1.771535 trlgG= -2.466210 logG= -0.687102 TDE= -4.586421 logGD-logG0= -0.102078 tlogG= -0.578651 logG= -0.680729 Density= 3.499769 ETOT(band)= -1.765711 trlgG= -2.458593 logG= -0.680729 TDE= -4.586136 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102630 tlogG= -0.574711 logG= -0.677341 Density= 3.500938 ETOT(band)= -1.761958 trlgG= -2.453070 logG= -0.677341 TDE= -4.584938 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102869 tlogG= -0.573826 logG= -0.676694 Density= 3.501530 ETOT(band)= -1.760801 trlgG= -2.451951 logG= -0.676694 TDE= -4.584942 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101112 tlogG= -0.590416 logG= -0.691529 Density= 3.497337 ETOT(band)= -1.775791 trlgG= -2.476676 logG= -0.691529 TDE= -4.591468 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101232 tlogG= -0.587900 logG= -0.689132 Density= 3.497978 ETOT(band)= -1.773541 trlgG= -2.470747 logG= -0.689132 TDE= -4.588449 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101315 tlogG= -0.589697 logG= -0.691013 Density= 3.497844 ETOT(band)= -1.774784 trlgG= -2.475892 logG= -0.691013 TDE= -4.591606 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101317 tlogG= -0.587529 logG= -0.688846 Density= 3.498078 ETOT(band)= -1.773181 trlgG= -2.470983 logG= -0.688846 TDE= -4.589051 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101592 tlogG= -0.582769 logG= -0.684360 Density= 3.498596 ETOT(band)= -1.769552 trlgG= -2.464476 logG= -0.684360 TDE= -4.587447 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101041 tlogG= -0.590829 logG= -0.691871 logGD-logG0= -0.101575 tlogG= -0.584495 logG= -0.686070 Density= 3.497329 ETOT(band)= -1.776087 trlgG= -2.476747 logG= -0.691871 TDE= -4.591190 Density= 3.498524 ETOT(band)= -1.770734 trlgG= -2.467929 logG= -0.686070 TDE= -4.589132 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101443 tlogG= -0.585031 logG= -0.686475 Density= 3.498251 ETOT(band)= -1.771370 trlgG= -2.468098 logG= -0.686475 TDE= -4.588677 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100973 tlogG= -0.590979 logG= -0.691952 Density= 3.497103 ETOT(band)= -1.776433 trlgG= -2.477014 logG= -0.691952 TDE= -4.591194 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101171 tlogG= -0.590287 logG= -0.691458 Density= 3.497547 ETOT(band)= -1.775480 trlgG= -2.476341 logG= -0.691458 TDE= -4.591371 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101071 tlogG= -0.588255 logG= -0.689326 Density= 3.497417 ETOT(band)= -1.774363 trlgG= -2.471393 logG= -0.689326 TDE= -4.588453 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102166 tlogG= -0.578171 logG= -0.680337 Density= 3.499880 ETOT(band)= -1.765262 trlgG= -2.458146 logG= -0.680337 TDE= -4.586170 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102257 tlogG= -0.577991 logG= -0.680248 Density= 3.500160 ETOT(band)= -1.764897 trlgG= -2.457749 logG= -0.680248 TDE= -4.586086 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101247 tlogG= -0.585886 logG= -0.687133 Density= 3.497827 ETOT(band)= -1.772391 trlgG= -2.468182 logG= -0.687133 TDE= -4.587762 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.101411 tlogG= -0.587569 logG= -0.688980 Density= 3.498115 ETOT(band)= -1.773142 trlgG= -2.472578 logG= -0.688980 TDE= -4.590543 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101661 tlogG= -0.584318 logG= -0.685979 Density= 3.498831 ETOT(band)= -1.770320 trlgG= -2.467454 logG= -0.685979 TDE= -4.588995 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101670 tlogG= -0.582847 logG= -0.684518 Density= 3.499014 ETOT(band)= -1.769231 trlgG= -2.463584 logG= -0.684518 TDE= -4.586733 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101402 tlogG= -0.587109 logG= -0.688511 Density= 3.498228 ETOT(band)= -1.772733 trlgG= -2.470939 logG= -0.688511 TDE= -4.589462 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101765 tlogG= -0.582414 logG= -0.684179 Density= 3.499172 ETOT(band)= -1.768766 trlgG= -2.463633 logG= -0.684179 TDE= -4.587247 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101460 tlogG= -0.585443 logG= -0.686903 Density= 3.498569 ETOT(band)= -1.771355 trlgG= -2.466960 logG= -0.686903 TDE= -4.587366 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102398 tlogG= -0.575556 logG= -0.677954 Density= 3.500400 ETOT(band)= -1.763039 trlgG= -2.454358 logG= -0.677954 TDE= -4.585182 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102349 tlogG= -0.577437 logG= -0.679786 Density= 3.500318 ETOT(band)= -1.764334 trlgG= -2.457376 logG= -0.679786 TDE= -4.586302 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Sum of eigenvalues= -1156.46114582710 eV TrLogG= -1610.62109483527 eV Ratio to renormalize= 1.000404991696 rho-rho_expected=-0.068011061062 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 4) Finished k-point number 5 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 31) Finished k-point number 32 1 with #bands= 105 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= 105 12) Finished k-point number 13 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834690242786510 0.831818693364095 0.835107366533218 0.831731308648895 0.835274715443975 0.831653291030473 0.834941116031870 0.831708437466297 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101440 tlogG= -0.585315 logG= -0.686754 Density= 3.498405 ETOT(band)= -1.771438 trlgG= -2.467414 logG= -0.686754 TDE= -4.587836 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101534 tlogG= -0.584827 logG= -0.686361 Density= 3.498570 ETOT(band)= -1.770907 trlgG= -2.467578 logG= -0.686361 TDE= -4.588526 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101297 tlogG= -0.591415 logG= -0.692712 Density= 3.497699 ETOT(band)= -1.776046 trlgG= -2.479357 logG= -0.692712 TDE= -4.593255 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101762 tlogG= -0.582411 logG= -0.684174 Density= 3.499165 ETOT(band)= -1.768760 trlgG= -2.463622 logG= -0.684174 TDE= -4.587235 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101314 tlogG= -0.587527 logG= -0.688841 Density= 3.498071 ETOT(band)= -1.773175 trlgG= -2.470973 logG= -0.688841 TDE= -4.589040 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102163 tlogG= -0.578169 logG= -0.680332 Density= 3.499874 ETOT(band)= -1.765257 trlgG= -2.458135 logG= -0.680332 TDE= -4.586159 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101109 tlogG= -0.592118 logG= -0.693227 Density= 3.497298 ETOT(band)= -1.776913 trlgG= -2.479959 logG= -0.693227 TDE= -4.593021 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100953 tlogG= -0.592783 logG= -0.693736 Density= 3.497006 ETOT(band)= -1.777696 trlgG= -2.480671 logG= -0.693736 TDE= -4.592989 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101320 tlogG= -0.585533 logG= -0.686853 Density= 3.497941 ETOT(band)= -1.772011 trlgG= -2.468411 logG= -0.686853 TDE= -4.588363 logGD-logG0= -0.101457 tlogG= -0.585440 logG= -0.686898 Density= 3.498563 ETOT(band)= -1.771349 trlgG= -2.466948 logG= -0.686898 TDE= -4.587354 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101491 tlogG= -0.583233 logG= -0.684723 Density= 3.498411 ETOT(band)= -1.770068 trlgG= -2.464386 logG= -0.684723 TDE= -4.586844 logGD-logG0= -0.101038 tlogG= -0.590827 logG= -0.691866 Density= 3.497322 ETOT(band)= -1.776082 trlgG= -2.476737 logG= -0.691866 TDE= -4.591180 logGD-logG0= -0.101179 tlogG= -0.586182 logG= -0.687361 Density= 3.497771 ETOT(band)= -1.772668 trlgG= -2.467129 logG= -0.687361 TDE= -4.586437 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101412 tlogG= -0.585685 logG= -0.687097 Density= 3.498567 ETOT(band)= -1.771530 trlgG= -2.466199 logG= -0.687097 TDE= -4.586409 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101271 tlogG= -0.587374 logG= -0.688646 Density= 3.497743 ETOT(band)= -1.773387 trlgG= -2.471771 logG= -0.688646 TDE= -4.589771 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101312 tlogG= -0.589695 logG= -0.691008 Density= 3.497837 ETOT(band)= -1.774779 trlgG= -2.475882 logG= -0.691008 TDE= -4.591596 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101340 tlogG= -0.585535 logG= -0.686875 Density= 3.498058 ETOT(band)= -1.771932 trlgG= -2.467848 logG= -0.686875 TDE= -4.587872 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102346 tlogG= -0.577435 logG= -0.679782 Density= 3.500311 ETOT(band)= -1.764329 trlgG= -2.457365 logG= -0.679782 TDE= -4.586291 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101749 tlogG= -0.581561 logG= -0.683310 Density= 3.499028 ETOT(band)= -1.768349 trlgG= -2.462591 logG= -0.683310 TDE= -4.586958 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101167 tlogG= -0.587842 logG= -0.689009 Density= 3.497553 ETOT(band)= -1.773919 trlgG= -2.471833 logG= -0.689009 TDE= -4.589318 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101572 tlogG= -0.584493 logG= -0.686065 Density= 3.498517 ETOT(band)= -1.770729 trlgG= -2.467919 logG= -0.686065 TDE= -4.589121 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101898 tlogG= -0.580969 logG= -0.682867 Density= 3.499336 ETOT(band)= -1.767641 trlgG= -2.462091 logG= -0.682867 TDE= -4.587149 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101589 tlogG= -0.582767 logG= -0.684356 Density= 3.498589 ETOT(band)= -1.769546 trlgG= -2.464466 logG= -0.684356 TDE= -4.587435 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101658 tlogG= -0.584316 logG= -0.685974 Density= 3.498825 ETOT(band)= -1.770315 trlgG= -2.467443 logG= -0.685974 TDE= -4.588983 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102866 tlogG= -0.573824 logG= -0.676690 Density= 3.501523 ETOT(band)= -1.760796 trlgG= -2.451941 logG= -0.676690 TDE= -4.584931 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102054 tlogG= -0.580321 logG= -0.682375 Density= 3.499702 ETOT(band)= -1.766841 trlgG= -2.461658 logG= -0.682375 TDE= -4.587501 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102395 tlogG= -0.575554 logG= -0.677949 Density= 3.500393 ETOT(band)= -1.763034 trlgG= -2.454346 logG= -0.677949 TDE= -4.585170 logGD-logG0= -0.101110 tlogG= -0.590414 logG= -0.691524 Density= 3.497330 ETOT(band)= -1.775786 trlgG= -2.476666 logG= -0.691524 TDE= -4.591457 logGD-logG0= -0.101988 tlogG= -0.578839 logG= -0.680827 Density= 3.499489 ETOT(band)= -1.766086 trlgG= -2.458975 logG= -0.680827 TDE= -4.586195 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101399 tlogG= -0.587107 logG= -0.688506 Density= 3.498221 ETOT(band)= -1.772727 trlgG= -2.470928 logG= -0.688506 TDE= -4.589451 logGD-logG0= -0.102075 tlogG= -0.578649 logG= -0.680724 Density= 3.499762 ETOT(band)= -1.765706 trlgG= -2.458581 logG= -0.680724 TDE= -4.586124 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101229 tlogG= -0.587897 logG= -0.689126 Density= 3.497971 ETOT(band)= -1.773536 trlgG= -2.470736 logG= -0.689126 TDE= -4.588439 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100970 tlogG= -0.590977 logG= -0.691947 Density= 3.497096 ETOT(band)= -1.776428 trlgG= -2.477004 logG= -0.691947 TDE= -4.591184 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101169 tlogG= -0.590285 logG= -0.691454 Density= 3.497541 ETOT(band)= -1.775474 trlgG= -2.476331 logG= -0.691454 TDE= -4.591361 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101440 tlogG= -0.585029 logG= -0.686470 Density= 3.498244 ETOT(band)= -1.771364 trlgG= -2.468087 logG= -0.686470 TDE= -4.588665 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102627 tlogG= -0.574709 logG= -0.677337 Density= 3.500932 ETOT(band)= -1.761953 trlgG= -2.453059 logG= -0.677337 TDE= -4.584927 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101521 tlogG= -0.585149 logG= -0.686670 Density= 3.498614 ETOT(band)= -1.771081 trlgG= -2.467284 logG= -0.686670 TDE= -4.587959 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101068 tlogG= -0.588253 logG= -0.689321 Density= 3.497411 ETOT(band)= -1.774357 trlgG= -2.471383 logG= -0.689321 TDE= -4.588442 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102439 tlogG= -0.577265 logG= -0.679704 Density= 3.500597 ETOT(band)= -1.763978 trlgG= -2.457006 logG= -0.679704 TDE= -4.586237 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101271 tlogG= -0.588142 logG= -0.689413 Density= 3.497823 ETOT(band)= -1.773816 trlgG= -2.472868 logG= -0.689413 TDE= -4.590165 logGD-logG0= -0.101870 tlogG= -0.581944 logG= -0.683815 Density= 3.499388 ETOT(band)= -1.768226 trlgG= -2.463507 logG= -0.683815 TDE= -4.587659 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101704 tlogG= -0.582261 logG= -0.683966 Density= 3.498831 ETOT(band)= -1.768948 trlgG= -2.464329 logG= -0.683966 TDE= -4.587882 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101153 tlogG= -0.588680 logG= -0.689833 Density= 3.497609 ETOT(band)= -1.774421 trlgG= -2.472849 logG= -0.689833 TDE= -4.589554 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101408 tlogG= -0.587567 logG= -0.688975 Density= 3.498108 ETOT(band)= -1.773137 trlgG= -2.472568 logG= -0.688975 TDE= -4.590532 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102254 tlogG= -0.577989 logG= -0.680243 Density= 3.500153 ETOT(band)= -1.764892 trlgG= -2.457738 logG= -0.680243 TDE= -4.586075 logGD-logG0= -0.101244 tlogG= -0.585884 logG= -0.687128 Density= 3.497820 ETOT(band)= -1.772385 trlgG= -2.468171 logG= -0.687128 TDE= -4.587751 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101667 tlogG= -0.582845 logG= -0.684513 Density= 3.499008 ETOT(band)= -1.769225 trlgG= -2.463573 logG= -0.684513 TDE= -4.586721 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101261 tlogG= -0.589804 logG= -0.691065 Density= 3.497644 ETOT(band)= -1.775051 trlgG= -2.476229 logG= -0.691065 TDE= -4.591731 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.45758117226 eV TrLogG= -1610.61062774663 eV Ratio to renormalize= 1.000406883899 rho-rho_expected=-0.068328693184 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834691267564701 0.831819767861987 0.835108387230392 0.831732387476101 0.835275729615412 0.831654373305618 0.834942140506421 0.831709516417275 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101492 tlogG= -0.583232 logG= -0.684724 Density= 3.498413 ETOT(band)= -1.770069 trlgG= -2.464388 logG= -0.684724 TDE= -4.586847 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102440 tlogG= -0.577265 logG= -0.679705 Density= 3.500598 ETOT(band)= -1.763979 trlgG= -2.457007 logG= -0.679705 TDE= -4.586240 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101272 tlogG= -0.587374 logG= -0.688646 Density= 3.497744 ETOT(band)= -1.773389 trlgG= -2.471773 logG= -0.688646 TDE= -4.589774 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101899 tlogG= -0.580968 logG= -0.682867 Density= 3.499338 ETOT(band)= -1.767642 trlgG= -2.462092 logG= -0.682867 TDE= -4.587151 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101262 tlogG= -0.589803 logG= -0.691065 Density= 3.497646 ETOT(band)= -1.775053 trlgG= -2.476231 logG= -0.691065 TDE= -4.591734 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101413 tlogG= -0.585684 logG= -0.687097 Density= 3.498569 ETOT(band)= -1.771531 trlgG= -2.466200 logG= -0.687097 TDE= -4.586412 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102164 tlogG= -0.578168 logG= -0.680332 Density= 3.499876 ETOT(band)= -1.765258 trlgG= -2.458137 logG= -0.680332 TDE= -4.586162 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101440 tlogG= -0.585314 logG= -0.686754 Density= 3.498406 ETOT(band)= -1.771439 trlgG= -2.467415 logG= -0.686754 TDE= -4.587839 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100954 tlogG= -0.592782 logG= -0.693736 Density= 3.497008 ETOT(band)= -1.777697 trlgG= -2.480672 logG= -0.693736 TDE= -4.592992 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101535 tlogG= -0.584826 logG= -0.686361 Density= 3.498572 ETOT(band)= -1.770908 trlgG= -2.467579 logG= -0.686361 TDE= -4.588529 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101179 tlogG= -0.586181 logG= -0.687361 Density= 3.497773 ETOT(band)= -1.772669 trlgG= -2.467130 logG= -0.687361 TDE= -4.586440 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101340 tlogG= -0.585535 logG= -0.686875 Density= 3.498060 ETOT(band)= -1.771933 trlgG= -2.467850 logG= -0.686875 TDE= -4.587875 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100971 tlogG= -0.590976 logG= -0.691947 Density= 3.497098 ETOT(band)= -1.776430 trlgG= -2.477006 logG= -0.691947 TDE= -4.591186 logGD-logG0= -0.101989 tlogG= -0.578838 logG= -0.680827 Density= 3.499490 ETOT(band)= -1.766088 trlgG= -2.458976 logG= -0.680827 TDE= -4.586198 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101039 tlogG= -0.590826 logG= -0.691866 Density= 3.497324 ETOT(band)= -1.776083 trlgG= -2.476738 logG= -0.691866 TDE= -4.591182 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101441 tlogG= -0.585029 logG= -0.686470 Density= 3.498246 ETOT(band)= -1.771366 trlgG= -2.468089 logG= -0.686470 TDE= -4.588668 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102255 tlogG= -0.577989 logG= -0.680244 Density= 3.500155 ETOT(band)= -1.764893 trlgG= -2.457740 logG= -0.680244 TDE= -4.586077 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101400 tlogG= -0.587107 logG= -0.688507 Density= 3.498223 ETOT(band)= -1.772729 trlgG= -2.470929 logG= -0.688507 TDE= -4.589454 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101230 tlogG= -0.587897 logG= -0.689127 Density= 3.497973 ETOT(band)= -1.773537 trlgG= -2.470738 logG= -0.689127 TDE= -4.588442 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101749 tlogG= -0.581561 logG= -0.683310 Density= 3.499030 ETOT(band)= -1.768350 trlgG= -2.462592 logG= -0.683310 TDE= -4.586961 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101668 tlogG= -0.582845 logG= -0.684513 Density= 3.499009 ETOT(band)= -1.769226 trlgG= -2.463575 logG= -0.684513 TDE= -4.586724 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101110 tlogG= -0.592117 logG= -0.693227 Density= 3.497300 ETOT(band)= -1.776915 trlgG= -2.479960 logG= -0.693227 TDE= -4.593024 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101522 tlogG= -0.585148 logG= -0.686670 Density= 3.498616 ETOT(band)= -1.771083 trlgG= -2.467285 logG= -0.686670 TDE= -4.587962 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101871 tlogG= -0.581944 logG= -0.683815 Density= 3.499389 ETOT(band)= -1.768228 trlgG= -2.463509 logG= -0.683815 TDE= -4.587661 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101298 tlogG= -0.591414 logG= -0.692712 Density= 3.497701 ETOT(band)= -1.776047 trlgG= -2.479358 logG= -0.692712 TDE= -4.593258 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101589 tlogG= -0.582766 logG= -0.684356 Density= 3.498591 ETOT(band)= -1.769548 trlgG= -2.464467 logG= -0.684356 TDE= -4.587438 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101315 tlogG= -0.587526 logG= -0.688842 Density= 3.498073 ETOT(band)= -1.773177 trlgG= -2.470974 logG= -0.688842 TDE= -4.589043 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101110 tlogG= -0.590414 logG= -0.691524 Density= 3.497332 ETOT(band)= -1.775787 trlgG= -2.476668 logG= -0.691524 TDE= -4.591460 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101573 tlogG= -0.584493 logG= -0.686065 Density= 3.498519 ETOT(band)= -1.770730 trlgG= -2.467920 logG= -0.686065 TDE= -4.589124 logGD-logG0= -0.101168 tlogG= -0.587841 logG= -0.689009 Density= 3.497555 ETOT(band)= -1.773920 trlgG= -2.471834 logG= -0.689009 TDE= -4.589320 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101313 tlogG= -0.589695 logG= -0.691008 Density= 3.497839 ETOT(band)= -1.774780 trlgG= -2.475883 logG= -0.691008 TDE= -4.591599 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101169 tlogG= -0.590284 logG= -0.691454 Density= 3.497542 ETOT(band)= -1.775476 trlgG= -2.476332 logG= -0.691454 TDE= -4.591364 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101272 tlogG= -0.588141 logG= -0.689413 Density= 3.497825 ETOT(band)= -1.773818 trlgG= -2.472869 logG= -0.689413 TDE= -4.590168 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102347 tlogG= -0.577435 logG= -0.679782 logGD-logG0= -0.101153 tlogG= -0.588679 logG= -0.689833 Density= 3.497610 ETOT(band)= -1.774422 trlgG= -2.472850 logG= -0.689833 TDE= -4.589557 Density= 3.500313 ETOT(band)= -1.764330 trlgG= -2.457367 logG= -0.679782 TDE= -4.586293 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101321 tlogG= -0.585532 logG= -0.686853 Density= 3.497943 ETOT(band)= -1.772012 trlgG= -2.468413 logG= -0.686853 TDE= -4.588366 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102396 tlogG= -0.575553 logG= -0.677949 Density= 3.500395 ETOT(band)= -1.763035 trlgG= -2.454348 logG= -0.677949 TDE= -4.585173 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102867 tlogG= -0.573823 logG= -0.676690 Density= 3.501525 ETOT(band)= -1.760797 trlgG= -2.451942 logG= -0.676690 TDE= -4.584933 logGD-logG0= -0.102054 tlogG= -0.580320 logG= -0.682375 Density= 3.499704 ETOT(band)= -1.766843 trlgG= -2.461659 logG= -0.682375 TDE= -4.587504 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101659 tlogG= -0.584316 logG= -0.685974 Density= 3.498826 ETOT(band)= -1.770316 trlgG= -2.467445 logG= -0.685974 TDE= -4.588986 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101409 tlogG= -0.587566 logG= -0.688975 Density= 3.498110 ETOT(band)= -1.773138 trlgG= -2.472569 logG= -0.688975 TDE= -4.590535 logGD-logG0= -0.102628 tlogG= -0.574709 logG= -0.677337 Density= 3.500933 ETOT(band)= -1.761954 trlgG= -2.453060 logG= -0.677337 TDE= -4.584930 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.101705 tlogG= -0.582261 logG= -0.683966 Density= 3.498833 ETOT(band)= -1.768949 trlgG= -2.464330 logG= -0.683966 TDE= -4.587885 logGD-logG0= -0.102076 tlogG= -0.578648 logG= -0.680724 Density= 3.499764 ETOT(band)= -1.765707 trlgG= -2.458583 logG= -0.680724 TDE= -4.586127 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101245 tlogG= -0.585883 logG= -0.687128 Density= 3.497822 ETOT(band)= -1.772387 trlgG= -2.468173 logG= -0.687128 TDE= -4.587754 logGD-logG0= -0.101763 tlogG= -0.582411 logG= -0.684174 Density= 3.499167 ETOT(band)= -1.768762 trlgG= -2.463623 logG= -0.684174 TDE= -4.587238 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101458 tlogG= -0.585440 logG= -0.686898 Density= 3.498564 ETOT(band)= -1.771350 trlgG= -2.466950 logG= -0.686898 TDE= -4.587357 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101069 tlogG= -0.588252 logG= -0.689321 Density= 3.497413 ETOT(band)= -1.774359 trlgG= -2.471385 logG= -0.689321 TDE= -4.588445 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.45850137401 eV TrLogG= -1610.61259230997 eV Ratio to renormalize= 1.000406402807 rho-rho_expected=-0.068247935472 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 19) Finished k-point number 20 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 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 22) Finished k-point number 23 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 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= 105 42) Finished k-point number 43 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834691720327484 0.831820065083880 0.835108863307925 0.831732678230867 0.835276156459270 0.831654672464941 0.834942591245851 0.831709796946690 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100747 tlogG= -0.592791 logG= -0.693538 Density= 3.496824 ETOT(band)= -1.777862 trlgG= -2.480626 logG= -0.693538 TDE= -4.592997 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101054 tlogG= -0.589811 logG= -0.690866 Density= 3.497463 ETOT(band)= -1.775217 trlgG= -2.476184 logG= -0.690866 TDE= -4.591739 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100972 tlogG= -0.586190 logG= -0.687161 Density= 3.497589 ETOT(band)= -1.772834 trlgG= -2.467084 logG= -0.687161 TDE= -4.586445 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101284 tlogG= -0.583240 logG= -0.684524 Density= 3.498229 ETOT(band)= -1.770233 trlgG= -2.464341 logG= -0.684524 TDE= -4.586853 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101233 tlogG= -0.585323 logG= -0.686555 Density= 3.498222 ETOT(band)= -1.771605 trlgG= -2.467370 logG= -0.686555 TDE= -4.587845 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101691 tlogG= -0.580977 logG= -0.682667 Density= 3.499155 ETOT(band)= -1.767806 trlgG= -2.462045 logG= -0.682667 TDE= -4.587157 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101205 tlogG= -0.585693 logG= -0.686898 Density= 3.498382 ETOT(band)= -1.771699 trlgG= -2.466156 logG= -0.686898 TDE= -4.586418 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101022 tlogG= -0.587905 logG= -0.688928 Density= 3.497787 ETOT(band)= -1.773703 trlgG= -2.470693 logG= -0.688928 TDE= -4.588447 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100832 tlogG= -0.590835 logG= -0.691667 Density= 3.497140 ETOT(band)= -1.776248 trlgG= -2.476693 logG= -0.691667 TDE= -4.591188 logGD-logG0= -0.101781 tlogG= -0.578847 logG= -0.680627 Density= 3.499308 ETOT(band)= -1.766251 trlgG= -2.458929 logG= -0.680627 TDE= -4.586204 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101064 tlogG= -0.587382 logG= -0.688447 Density= 3.497561 ETOT(band)= -1.773553 trlgG= -2.471726 logG= -0.688447 TDE= -4.589780 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101106 tlogG= -0.589703 logG= -0.690809 Density= 3.497656 ETOT(band)= -1.774944 trlgG= -2.475837 logG= -0.690809 TDE= -4.591604 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101451 tlogG= -0.584324 logG= -0.685775 Density= 3.498643 ETOT(band)= -1.770481 trlgG= -2.467399 logG= -0.685775 TDE= -4.588992 logGD-logG0= -0.101108 tlogG= -0.587535 logG= -0.688642 Density= 3.497888 ETOT(band)= -1.773342 trlgG= -2.470929 logG= -0.688642 TDE= -4.589049 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101382 tlogG= -0.582775 logG= -0.684156 Density= 3.498408 ETOT(band)= -1.769712 trlgG= -2.464420 logG= -0.684156 TDE= -4.587444 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101064 tlogG= -0.588150 logG= -0.689214 Density= 3.497642 ETOT(band)= -1.773983 trlgG= -2.472823 logG= -0.689214 TDE= -4.590174 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101868 tlogG= -0.578656 logG= -0.680524 Density= 3.499581 ETOT(band)= -1.765871 trlgG= -2.458536 logG= -0.680524 TDE= -4.586133 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101497 tlogG= -0.582269 logG= -0.683766 Density= 3.498650 ETOT(band)= -1.769113 trlgG= -2.464283 logG= -0.683766 TDE= -4.587891 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101193 tlogG= -0.587115 logG= -0.688307 Density= 3.498039 ETOT(band)= -1.772893 trlgG= -2.470883 logG= -0.688307 TDE= -4.589460 logGD-logG0= -0.102658 tlogG= -0.573831 logG= -0.676490 Density= 3.501343 ETOT(band)= -1.760960 trlgG= -2.451894 logG= -0.676490 TDE= -4.584939 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100764 tlogG= -0.590985 logG= -0.691748 Density= 3.496914 ETOT(band)= -1.776594 trlgG= -2.476959 logG= -0.691748 TDE= -4.591192 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101090 tlogG= -0.591422 logG= -0.692513 Density= 3.497518 ETOT(band)= -1.776211 trlgG= -2.479311 logG= -0.692513 TDE= -4.593263 logGD-logG0= -0.100946 tlogG= -0.588688 logG= -0.689634 Density= 3.497426 ETOT(band)= -1.774588 trlgG= -2.472804 logG= -0.689634 TDE= -4.589563 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102139 tlogG= -0.577443 logG= -0.679582 Density= 3.500131 ETOT(band)= -1.764493 trlgG= -2.457319 logG= -0.679582 TDE= -4.586299 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101460 tlogG= -0.582853 logG= -0.684313 Density= 3.498824 ETOT(band)= -1.769393 trlgG= -2.463529 logG= -0.684313 TDE= -4.586730 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101037 tlogG= -0.585892 logG= -0.686929 Density= 3.497638 ETOT(band)= -1.772551 trlgG= -2.468127 logG= -0.686929 TDE= -4.587760 logGD-logG0= -0.102232 tlogG= -0.577273 logG= -0.679505 Density= 3.500416 ETOT(band)= -1.764143 trlgG= -2.456959 logG= -0.679505 TDE= -4.586246 logGD-logG0= -0.101555 tlogG= -0.582419 logG= -0.683974 Density= 3.498982 ETOT(band)= -1.768927 trlgG= -2.463578 logG= -0.683974 TDE= -4.587244 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101956 tlogG= -0.578177 logG= -0.680133 Density= 3.499693 ETOT(band)= -1.765422 trlgG= -2.458089 logG= -0.680133 TDE= -4.586167 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101847 tlogG= -0.580329 logG= -0.682175 Density= 3.499521 ETOT(band)= -1.767006 trlgG= -2.461612 logG= -0.682175 TDE= -4.587510 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100903 tlogG= -0.590422 logG= -0.691325 Density= 3.497149 ETOT(band)= -1.775951 trlgG= -2.476621 logG= -0.691325 TDE= -4.591465 logGD-logG0= -0.101233 tlogG= -0.585037 logG= -0.686271 Density= 3.498063 ETOT(band)= -1.771530 trlgG= -2.468042 logG= -0.686271 TDE= -4.588674 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101663 tlogG= -0.581952 logG= -0.683615 Density= 3.499206 ETOT(band)= -1.768392 trlgG= -2.463463 logG= -0.683615 TDE= -4.587667 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100960 tlogG= -0.587849 logG= -0.688810 Density= 3.497371 ETOT(band)= -1.774085 trlgG= -2.471788 logG= -0.688810 TDE= -4.589326 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102420 tlogG= -0.574717 logG= -0.677137 Density= 3.500752 ETOT(band)= -1.762117 trlgG= -2.453012 logG= -0.677137 TDE= -4.584936 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102047 tlogG= -0.577997 logG= -0.680044 Density= 3.499972 ETOT(band)= -1.765057 trlgG= -2.457692 logG= -0.680044 TDE= -4.586083 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101327 tlogG= -0.584835 logG= -0.686162 Density= 3.498388 ETOT(band)= -1.771073 trlgG= -2.467533 logG= -0.686162 TDE= -4.588535 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100903 tlogG= -0.592125 logG= -0.693028 Density= 3.497117 ETOT(band)= -1.777079 trlgG= -2.479914 logG= -0.693028 TDE= -4.593029 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101314 tlogG= -0.585156 logG= -0.686470 Density= 3.498432 ETOT(band)= -1.771248 trlgG= -2.467240 logG= -0.686470 TDE= -4.587968 logGD-logG0= -0.101113 tlogG= -0.585540 logG= -0.686654 Density= 3.497759 ETOT(band)= -1.772176 trlgG= -2.468366 logG= -0.686654 TDE= -4.588371 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101133 tlogG= -0.585543 logG= -0.686676 Density= 3.497876 ETOT(band)= -1.772098 trlgG= -2.467804 logG= -0.686676 TDE= -4.587881 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101542 tlogG= -0.581569 logG= -0.683111 Density= 3.498847 ETOT(band)= -1.768515 trlgG= -2.462546 logG= -0.683111 TDE= -4.586967 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101250 tlogG= -0.585448 logG= -0.686699 Density= 3.498379 ETOT(band)= -1.771517 trlgG= -2.466905 logG= -0.686699 TDE= -4.587363 logGD-logG0= -0.101201 tlogG= -0.587575 logG= -0.688776 Density= 3.497927 ETOT(band)= -1.773302 trlgG= -2.472523 logG= -0.688776 TDE= -4.590541 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100861 tlogG= -0.588260 logG= -0.689122 Density= 3.497229 ETOT(band)= -1.774524 trlgG= -2.471339 logG= -0.689122 TDE= -4.588450 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101365 tlogG= -0.584501 logG= -0.685866 Density= 3.498336 ETOT(band)= -1.770894 trlgG= -2.467873 logG= -0.685866 TDE= -4.589130 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100962 tlogG= -0.590293 logG= -0.691254 Density= 3.497359 ETOT(band)= -1.775641 trlgG= -2.476286 logG= -0.691254 TDE= -4.591369 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102188 tlogG= -0.575562 logG= -0.677750 Density= 3.500213 ETOT(band)= -1.763198 trlgG= -2.454300 logG= -0.677750 TDE= -4.585179 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 Sum of eigenvalues= -1156.56591192222 eV TrLogG= -1610.48611840725 eV Ratio to renormalize= 1.000458854385 rho-rho_expected=-0.077052180900 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 17) Finished k-point number 18 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= 105 9) Finished k-point number 10 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834698563953292 0.831826913746015 0.835115662537769 0.831739559507588 0.835282929347176 0.831661567737600 0.834949437921228 0.831716664971066 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101068 tlogG= -0.587379 logG= -0.688448 Density= 3.497572 ETOT(band)= -1.773561 trlgG= -2.471736 logG= -0.688448 TDE= -4.589797 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100836 tlogG= -0.590832 logG= -0.691668 Density= 3.497150 ETOT(band)= -1.776256 trlgG= -2.476702 logG= -0.691668 TDE= -4.591204 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101331 tlogG= -0.584832 logG= -0.686163 Density= 3.498398 ETOT(band)= -1.771081 trlgG= -2.467544 logG= -0.686163 TDE= -4.588553 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100950 tlogG= -0.588685 logG= -0.689634 Density= 3.497436 ETOT(band)= -1.774596 trlgG= -2.472815 logG= -0.689634 TDE= -4.589580 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101785 tlogG= -0.578843 logG= -0.680628 Density= 3.499318 ETOT(band)= -1.766260 trlgG= -2.458940 logG= -0.680628 TDE= -4.586222 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101095 tlogG= -0.591419 logG= -0.692514 Density= 3.497528 ETOT(band)= -1.776219 trlgG= -2.479318 logG= -0.692514 TDE= -4.593278 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100976 tlogG= -0.586187 logG= -0.687163 Density= 3.497599 ETOT(band)= -1.772843 trlgG= -2.467095 logG= -0.687163 TDE= -4.586463 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101238 tlogG= -0.585034 logG= -0.686272 Density= 3.498073 ETOT(band)= -1.771538 trlgG= -2.468052 logG= -0.686272 TDE= -4.588692 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102051 tlogG= -0.577994 logG= -0.680045 Density= 3.499982 ETOT(band)= -1.765065 trlgG= -2.457702 logG= -0.680045 TDE= -4.586100 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102143 tlogG= -0.577440 logG= -0.679583 Density= 3.500141 ETOT(band)= -1.764501 trlgG= -2.457328 logG= -0.679583 TDE= -4.586316 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100751 tlogG= -0.592788 logG= -0.693539 Density= 3.496834 ETOT(band)= -1.777870 trlgG= -2.480635 logG= -0.693539 TDE= -4.593014 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101058 tlogG= -0.589808 logG= -0.690866 Density= 3.497473 ETOT(band)= -1.775225 trlgG= -2.476192 logG= -0.690866 TDE= -4.591755 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100866 tlogG= -0.588257 logG= -0.689123 Density= 3.497239 ETOT(band)= -1.774532 trlgG= -2.471349 logG= -0.689123 TDE= -4.588467 logGD-logG0= -0.101559 tlogG= -0.582416 logG= -0.683975 Density= 3.498992 ETOT(band)= -1.768936 trlgG= -2.463588 logG= -0.683975 TDE= -4.587261 logGD-logG0= -0.101288 tlogG= -0.583237 logG= -0.684525 Density= 3.498239 ETOT(band)= -1.770242 trlgG= -2.464352 logG= -0.684525 TDE= -4.586872 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101026 tlogG= -0.587902 logG= -0.688929 Density= 3.497797 ETOT(band)= -1.773712 trlgG= -2.470703 logG= -0.688929 TDE= -4.588464 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101695 tlogG= -0.580973 logG= -0.682668 Density= 3.499165 ETOT(band)= -1.767815 trlgG= -2.462056 logG= -0.682668 TDE= -4.587175 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101546 tlogG= -0.581566 logG= -0.683112 Density= 3.498857 ETOT(band)= -1.768523 trlgG= -2.462557 logG= -0.683112 TDE= -4.586986 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101318 tlogG= -0.585153 logG= -0.686471 Density= 3.498442 ETOT(band)= -1.771257 trlgG= -2.467251 logG= -0.686471 TDE= -4.587986 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101118 tlogG= -0.585537 logG= -0.686655 Density= 3.497770 ETOT(band)= -1.772185 trlgG= -2.468377 logG= -0.686655 TDE= -4.588389 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100768 tlogG= -0.590982 logG= -0.691749 Density= 3.496924 ETOT(band)= -1.776603 trlgG= -2.476969 logG= -0.691749 TDE= -4.591209 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101872 tlogG= -0.578653 logG= -0.680525 Density= 3.499591 ETOT(band)= -1.765880 trlgG= -2.458548 logG= -0.680525 TDE= -4.586151 logGD-logG0= -0.101960 tlogG= -0.578173 logG= -0.680134 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 Density= 3.499704 ETOT(band)= -1.765430 trlgG= -2.458099 logG= -0.680134 TDE= -4.586184 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102424 tlogG= -0.574714 logG= -0.677138 Density= 3.500762 ETOT(band)= -1.762125 trlgG= -2.453022 logG= -0.677138 TDE= -4.584953 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101667 tlogG= -0.581949 logG= -0.683616 Density= 3.499216 ETOT(band)= -1.768401 trlgG= -2.463473 logG= -0.683616 TDE= -4.587685 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101237 tlogG= -0.585320 logG= -0.686556 Density= 3.498232 ETOT(band)= -1.771613 trlgG= -2.467381 logG= -0.686556 TDE= -4.587863 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101386 tlogG= -0.582771 logG= -0.684157 Density= 3.498418 ETOT(band)= -1.769720 trlgG= -2.464431 logG= -0.684157 TDE= -4.587461 logGD-logG0= -0.101137 tlogG= -0.585540 logG= -0.686677 Density= 3.497886 ETOT(band)= -1.772106 trlgG= -2.467815 logG= -0.686677 TDE= -4.587899 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100907 tlogG= -0.590419 logG= -0.691326 Density= 3.497159 ETOT(band)= -1.775960 trlgG= -2.476630 logG= -0.691326 TDE= -4.591481 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101112 tlogG= -0.587532 logG= -0.688644 Density= 3.497898 ETOT(band)= -1.773351 trlgG= -2.470939 logG= -0.688644 TDE= -4.589066 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101197 tlogG= -0.587112 logG= -0.688308 Density= 3.498049 ETOT(band)= -1.772902 trlgG= -2.470893 logG= -0.688308 TDE= -4.589477 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102236 tlogG= -0.577270 logG= -0.679506 Density= 3.500426 ETOT(band)= -1.764151 trlgG= -2.456969 logG= -0.679506 TDE= -4.586262 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100907 tlogG= -0.592122 logG= -0.693029 Density= 3.497127 ETOT(band)= -1.777087 trlgG= -2.479922 logG= -0.693029 TDE= -4.593045 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101041 tlogG= -0.585889 logG= -0.686930 Density= 3.497648 ETOT(band)= -1.772560 trlgG= -2.468137 logG= -0.686930 TDE= -4.587777 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100964 tlogG= -0.587846 logG= -0.688811 Density= 3.497381 ETOT(band)= -1.774093 trlgG= -2.471798 logG= -0.688811 TDE= -4.589344 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101255 tlogG= -0.585445 logG= -0.686700 Density= 3.498389 ETOT(band)= -1.771525 trlgG= -2.466917 logG= -0.686700 TDE= -4.587381 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101464 tlogG= -0.582850 logG= -0.684314 Density= 3.498834 ETOT(band)= -1.769401 trlgG= -2.463541 logG= -0.684314 TDE= -4.586748 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101851 tlogG= -0.580325 logG= -0.682176 Density= 3.499532 ETOT(band)= -1.767014 trlgG= -2.461622 logG= -0.682176 TDE= -4.587527 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101205 tlogG= -0.587572 logG= -0.688777 Density= 3.497937 ETOT(band)= -1.773311 trlgG= -2.472533 logG= -0.688777 TDE= -4.590558 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101369 tlogG= -0.584498 logG= -0.685867 Density= 3.498347 ETOT(band)= -1.770902 trlgG= -2.467884 logG= -0.685867 TDE= -4.589147 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101455 tlogG= -0.584321 logG= -0.685776 Density= 3.498653 ETOT(band)= -1.770489 trlgG= -2.467409 logG= -0.685776 TDE= -4.589010 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101501 tlogG= -0.582266 logG= -0.683767 Density= 3.498660 ETOT(band)= -1.769121 trlgG= -2.464294 logG= -0.683767 TDE= -4.587909 logGD-logG0= -0.102192 tlogG= -0.575558 logG= -0.677751 Density= 3.500224 ETOT(band)= -1.763206 trlgG= -2.454311 logG= -0.677751 TDE= -4.585197 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101069 tlogG= -0.588146 logG= -0.689215 Density= 3.497652 ETOT(band)= -1.773991 trlgG= -2.472833 logG= -0.689215 TDE= -4.590191 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101209 tlogG= -0.585690 logG= -0.686899 Density= 3.498392 ETOT(band)= -1.771707 trlgG= -2.466168 logG= -0.686899 TDE= -4.586436 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100966 tlogG= -0.590289 logG= -0.691255 Density= 3.497369 ETOT(band)= -1.775649 trlgG= -2.476295 logG= -0.691255 TDE= -4.591386 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102663 tlogG= -0.573828 logG= -0.676491 Density= 3.501354 ETOT(band)= -1.760968 trlgG= -2.451903 logG= -0.676491 TDE= -4.584956 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101110 tlogG= -0.589700 logG= -0.690810 Density= 3.497666 ETOT(band)= -1.774952 trlgG= -2.475845 logG= -0.690810 TDE= -4.591620 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.57133048286 eV TrLogG= -1610.49809439049 eV Ratio to renormalize= 1.000455945362 rho-rho_expected=-0.076563911859 nargs= 1 argi=dmft2.def 30) Finished k-point number 31 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 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= 105 9) Finished k-point number 10 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 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= 0.834741201763701 0.831870763404613 0.835158225236267 0.831783504145250 0.835325234407376 0.831705616183546 0.834992004152398 0.831760618145113 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101481 tlogG= -0.584312 logG= -0.685794 Density= 3.498717 ETOT(band)= -1.770543 trlgG= -2.467486 logG= -0.685794 TDE= -4.589120 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101094 tlogG= -0.587371 logG= -0.688465 Density= 3.497635 ETOT(band)= -1.773614 trlgG= -2.471813 logG= -0.688465 TDE= -4.589908 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100933 tlogG= -0.590410 logG= -0.691343 Density= 3.497222 ETOT(band)= -1.776013 trlgG= -2.476698 logG= -0.691343 TDE= -4.591583 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101987 tlogG= -0.578165 logG= -0.680151 Density= 3.499767 ETOT(band)= -1.765483 trlgG= -2.458173 logG= -0.680151 TDE= -4.586292 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101314 tlogG= -0.583230 logG= -0.684544 Density= 3.498302 ETOT(band)= -1.770296 trlgG= -2.464437 logG= -0.684544 TDE= -4.586988 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101052 tlogG= -0.587895 logG= -0.688947 Density= 3.497860 ETOT(band)= -1.773766 trlgG= -2.470778 logG= -0.688947 TDE= -4.588571 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101084 tlogG= -0.589799 logG= -0.690884 Density= 3.497537 ETOT(band)= -1.775278 trlgG= -2.476257 logG= -0.690884 TDE= -4.591854 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101002 tlogG= -0.586179 logG= -0.687181 Density= 3.497661 ETOT(band)= -1.772898 trlgG= -2.467175 logG= -0.687181 TDE= -4.586574 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100862 tlogG= -0.590824 logG= -0.691686 Density= 3.497213 ETOT(band)= -1.776310 trlgG= -2.476774 logG= -0.691686 TDE= -4.591309 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.102689 tlogG= -0.573818 logG= -0.676508 Density= 3.501418 ETOT(band)= -1.761021 trlgG= -2.451975 logG= -0.676508 TDE= -4.585063 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.100777 tlogG= -0.592779 logG= -0.693556 Density= 3.496898 ETOT(band)= -1.777923 trlgG= -2.480706 logG= -0.693556 TDE= -4.593118 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101143 tlogG= -0.585530 logG= -0.686673 Density= 3.497833 ETOT(band)= -1.772239 trlgG= -2.468455 logG= -0.686673 TDE= -4.588500 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101138 tlogG= -0.587524 logG= -0.688662 Density= 3.497961 ETOT(band)= -1.773405 trlgG= -2.471016 logG= -0.688662 TDE= -4.589176 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101223 tlogG= -0.587104 logG= -0.688326 Density= 3.498113 ETOT(band)= -1.772956 trlgG= -2.470970 logG= -0.688326 TDE= -4.589586 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101357 tlogG= -0.584824 logG= -0.686181 Density= 3.498461 ETOT(band)= -1.771135 trlgG= -2.467623 logG= -0.686181 TDE= -4.588664 logGD-logG0= -0.101586 tlogG= -0.582408 logG= -0.683994 Density= 3.499056 ETOT(band)= -1.768990 trlgG= -2.463667 logG= -0.683994 TDE= -4.587372 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101121 tlogG= -0.591410 logG= -0.692531 Density= 3.497592 ETOT(band)= -1.776271 trlgG= -2.479379 logG= -0.692531 TDE= -4.593373 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101412 tlogG= -0.582764 logG= -0.684175 Density= 3.498481 ETOT(band)= -1.769774 trlgG= -2.464509 logG= -0.684175 TDE= -4.587572 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101572 tlogG= -0.581558 logG= -0.683130 Density= 3.498920 ETOT(band)= -1.768577 trlgG= -2.462641 logG= -0.683130 TDE= -4.587103 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100976 tlogG= -0.588677 logG= -0.689653 Density= 3.497500 ETOT(band)= -1.774650 trlgG= -2.472892 logG= -0.689653 TDE= -4.589691 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101263 tlogG= -0.585312 logG= -0.686575 Density= 3.498295 ETOT(band)= -1.771668 trlgG= -2.467462 logG= -0.686575 TDE= -4.587977 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101721 tlogG= -0.580965 logG= -0.682686 Density= 3.499229 ETOT(band)= -1.767869 trlgG= -2.462133 logG= -0.682686 TDE= -4.587285 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101395 tlogG= -0.584489 logG= -0.685885 Density= 3.498410 ETOT(band)= -1.770955 trlgG= -2.467961 logG= -0.685885 TDE= -4.589258 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101877 tlogG= -0.580317 logG= -0.682194 Density= 3.499596 ETOT(band)= -1.767068 trlgG= -2.461699 logG= -0.682194 TDE= -4.587638 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101231 tlogG= -0.587563 logG= -0.688794 Density= 3.498001 ETOT(band)= -1.773364 trlgG= -2.472609 logG= -0.688794 TDE= -4.590669 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101811 tlogG= -0.578835 logG= -0.680646 Density= 3.499382 ETOT(band)= -1.766314 trlgG= -2.459025 logG= -0.680646 TDE= -4.586339 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100992 tlogG= -0.590281 logG= -0.691273 Density= 3.497432 ETOT(band)= -1.775702 trlgG= -2.476365 logG= -0.691273 TDE= -4.591488 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102169 tlogG= -0.577431 logG= -0.679600 Density= 3.500205 ETOT(band)= -1.764554 trlgG= -2.457402 logG= -0.679600 TDE= -4.586423 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100933 tlogG= -0.592113 logG= -0.693046 Density= 3.497191 ETOT(band)= -1.777139 trlgG= -2.479989 logG= -0.693046 TDE= -4.593146 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101163 tlogG= -0.585532 logG= -0.686695 Density= 3.497949 ETOT(band)= -1.772160 trlgG= -2.467897 logG= -0.686695 TDE= -4.588013 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101264 tlogG= -0.585026 logG= -0.686290 Density= 3.498136 ETOT(band)= -1.771592 trlgG= -2.468131 logG= -0.686290 TDE= -4.588803 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101527 tlogG= -0.582258 logG= -0.683785 Density= 3.498724 ETOT(band)= -1.769175 trlgG= -2.464372 logG= -0.683785 TDE= -4.588020 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100892 tlogG= -0.588250 logG= -0.689141 Density= 3.497302 ETOT(band)= -1.774586 trlgG= -2.471426 logG= -0.689141 TDE= -4.588576 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101694 tlogG= -0.581941 logG= -0.683635 Density= 3.499279 ETOT(band)= -1.768455 trlgG= -2.463551 logG= -0.683635 TDE= -4.587796 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101281 tlogG= -0.585438 logG= -0.686719 Density= 3.498452 ETOT(band)= -1.771580 trlgG= -2.467000 logG= -0.686719 TDE= -4.587497 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101235 tlogG= -0.585683 logG= -0.686918 Density= 3.498455 ETOT(band)= -1.771762 trlgG= -2.466251 logG= -0.686918 TDE= -4.586550 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101344 tlogG= -0.585146 logG= -0.686490 Density= 3.498505 ETOT(band)= -1.771311 trlgG= -2.467333 logG= -0.686490 TDE= -4.588101 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101067 tlogG= -0.585881 logG= -0.686948 Density= 3.497711 ETOT(band)= -1.772614 trlgG= -2.468217 logG= -0.686948 TDE= -4.587889 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.100794 tlogG= -0.590973 logG= -0.691767 Density= 3.496987 ETOT(band)= -1.776656 trlgG= -2.477041 logG= -0.691767 TDE= -4.591313 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102077 tlogG= -0.577985 logG= -0.680063 Density= 3.500046 ETOT(band)= -1.765119 trlgG= -2.457776 logG= -0.680063 TDE= -4.586207 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102263 tlogG= -0.577261 logG= -0.679523 Density= 3.500490 ETOT(band)= -1.764205 trlgG= -2.457043 logG= -0.679523 TDE= -4.586370 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100990 tlogG= -0.587838 logG= -0.688829 Density= 3.497444 ETOT(band)= -1.774147 trlgG= -2.471876 logG= -0.688829 TDE= -4.589454 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101095 tlogG= -0.588138 logG= -0.689233 Density= 3.497715 ETOT(band)= -1.774044 trlgG= -2.472911 logG= -0.689233 TDE= -4.590302 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101490 tlogG= -0.582843 logG= -0.684333 Density= 3.498897 ETOT(band)= -1.769456 trlgG= -2.463626 logG= -0.684333 TDE= -4.586865 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101136 tlogG= -0.589691 logG= -0.690827 Density= 3.497730 ETOT(band)= -1.775005 trlgG= -2.475911 logG= -0.690827 TDE= -4.591719 logGD-logG0= -0.102451 tlogG= -0.574705 logG= -0.677155 Density= 3.500827 ETOT(band)= -1.762178 trlgG= -2.453098 logG= -0.677155 TDE= -4.585063 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102219 tlogG= -0.575550 logG= -0.677768 Density= 3.500288 ETOT(band)= -1.763260 trlgG= -2.454394 logG= -0.677768 TDE= -4.585314 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101898 tlogG= -0.578645 logG= -0.680544 Density= 3.499655 ETOT(band)= -1.765934 trlgG= -2.458632 logG= -0.680544 TDE= -4.586269 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 Sum of eigenvalues= -1156.60642985834 eV TrLogG= -1610.58138107453 eV Ratio to renormalize= 1.000437806859 rho-rho_expected=-0.073519365050 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 37) Finished k-point number 38 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= 105 8) Finished k-point number 9 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834775478398655 0.831905857908157 0.835192456973193 0.831818655606268 0.835359232496175 0.831740844204343 0.835026275040255 0.831795762127954 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100883 tlogG= -0.590822 logG= -0.691705 Density= 3.497264 ETOT(band)= -1.776357 trlgG= -2.476840 logG= -0.691705 TDE= -4.591397 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.102008 tlogG= -0.578162 logG= -0.680170 Density= 3.499819 ETOT(band)= -1.765531 trlgG= -2.458241 logG= -0.680170 TDE= -4.586383 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101023 tlogG= -0.586178 logG= -0.687201 Density= 3.497712 ETOT(band)= -1.772946 trlgG= -2.467247 logG= -0.687201 TDE= -4.586668 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101433 tlogG= -0.582761 logG= -0.684194 Density= 3.498532 ETOT(band)= -1.769822 trlgG= -2.464581 logG= -0.684194 TDE= -4.587666 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101073 tlogG= -0.587893 logG= -0.688967 Density= 3.497911 ETOT(band)= -1.773814 trlgG= -2.470847 logG= -0.688967 TDE= -4.588661 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101378 tlogG= -0.584822 logG= -0.686200 Density= 3.498512 ETOT(band)= -1.771183 trlgG= -2.467694 logG= -0.686200 TDE= -4.588758 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101142 tlogG= -0.591406 logG= -0.692549 Density= 3.497644 ETOT(band)= -1.776316 trlgG= -2.479436 logG= -0.692549 TDE= -4.593454 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101502 tlogG= -0.584310 logG= -0.685812 Density= 3.498769 ETOT(band)= -1.770589 trlgG= -2.467557 logG= -0.685812 TDE= -4.589214 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101164 tlogG= -0.585527 logG= -0.686692 Density= 3.497884 ETOT(band)= -1.772286 trlgG= -2.468527 logG= -0.686692 TDE= -4.588594 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100798 tlogG= -0.592776 logG= -0.693574 Density= 3.496949 ETOT(band)= -1.777969 trlgG= -2.480772 logG= -0.693574 TDE= -4.593207 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.100954 tlogG= -0.592110 logG= -0.693064 Density= 3.497242 ETOT(band)= -1.777185 trlgG= -2.480050 logG= -0.693064 TDE= -4.593230 logGD-logG0= -0.101106 tlogG= -0.589796 logG= -0.690902 Density= 3.497588 ETOT(band)= -1.775324 trlgG= -2.476317 logG= -0.690902 TDE= -4.591938 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101335 tlogG= -0.583228 logG= -0.684563 Density= 3.498353 ETOT(band)= -1.770344 trlgG= -2.464513 logG= -0.684563 TDE= -4.587086 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101512 tlogG= -0.582841 logG= -0.684353 Density= 3.498948 ETOT(band)= -1.769504 trlgG= -2.463703 logG= -0.684353 TDE= -4.586963 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101115 tlogG= -0.587368 logG= -0.688484 Density= 3.497686 ETOT(band)= -1.773661 trlgG= -2.471884 logG= -0.688484 TDE= -4.590001 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101159 tlogG= -0.587522 logG= -0.688681 Density= 3.498012 ETOT(band)= -1.773452 trlgG= -2.471087 logG= -0.688681 TDE= -4.589268 logGD-logG0= -0.101184 tlogG= -0.585531 logG= -0.686714 Density= 3.498000 ETOT(band)= -1.772208 trlgG= -2.467971 logG= -0.686714 TDE= -4.588109 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101742 tlogG= -0.580963 logG= -0.682705 Density= 3.499280 ETOT(band)= -1.767916 trlgG= -2.462203 logG= -0.682705 TDE= -4.587378 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101715 tlogG= -0.581939 logG= -0.683654 Density= 3.499331 ETOT(band)= -1.768502 trlgG= -2.463623 logG= -0.683654 TDE= -4.587889 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.102191 tlogG= -0.577428 logG= -0.679619 Density= 3.500257 ETOT(band)= -1.764601 trlgG= -2.457469 logG= -0.679619 TDE= -4.586514 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101832 tlogG= -0.578833 logG= -0.680665 Density= 3.499433 ETOT(band)= -1.766361 trlgG= -2.459101 logG= -0.680665 TDE= -4.586438 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101899 tlogG= -0.580314 logG= -0.682212 Density= 3.499647 ETOT(band)= -1.767114 trlgG= -2.461769 logG= -0.682212 TDE= -4.587731 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100997 tlogG= -0.588675 logG= -0.689671 Density= 3.497551 ETOT(band)= -1.774697 trlgG= -2.472963 logG= -0.689671 TDE= -4.589783 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101593 tlogG= -0.581556 logG= -0.683149 Density= 3.498972 ETOT(band)= -1.768625 trlgG= -2.462718 logG= -0.683149 TDE= -4.587201 logGD-logG0= -0.101920 tlogG= -0.578643 logG= -0.680563 Density= 3.499706 ETOT(band)= -1.765981 trlgG= -2.458708 logG= -0.680563 TDE= -4.586367 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.100954 tlogG= -0.590408 logG= -0.691362 Density= 3.497273 ETOT(band)= -1.776060 trlgG= -2.476762 logG= -0.691362 TDE= -4.591669 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101011 tlogG= -0.587836 logG= -0.688848 Density= 3.497495 ETOT(band)= -1.774195 trlgG= -2.471947 logG= -0.688848 TDE= -4.589547 logGD-logG0= -0.100815 tlogG= -0.590971 logG= -0.691786 Density= 3.497038 ETOT(band)= -1.776703 trlgG= -2.477107 logG= -0.691786 TDE= -4.591402 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101284 tlogG= -0.585310 logG= -0.686594 Density= 3.498346 ETOT(band)= -1.771715 trlgG= -2.467536 logG= -0.686594 TDE= -4.588073 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101157 tlogG= -0.589688 logG= -0.690845 Density= 3.497781 ETOT(band)= -1.775051 trlgG= -2.475972 logG= -0.690845 TDE= -4.591804 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101116 tlogG= -0.588136 logG= -0.689251 Density= 3.497766 ETOT(band)= -1.774091 trlgG= -2.472982 logG= -0.689251 TDE= -4.590396 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101244 tlogG= -0.587101 logG= -0.688345 Density= 3.498164 ETOT(band)= -1.773003 trlgG= -2.471040 logG= -0.688345 TDE= -4.589679 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101256 tlogG= -0.585682 logG= -0.686938 Density= 3.498506 ETOT(band)= -1.771811 trlgG= -2.466326 logG= -0.686938 TDE= -4.586646 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102711 tlogG= -0.573815 logG= -0.676526 Density= 3.501471 ETOT(band)= -1.761067 trlgG= -2.452042 logG= -0.676526 TDE= -4.585153 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101548 tlogG= -0.582255 logG= -0.683804 Density= 3.498775 ETOT(band)= -1.769222 trlgG= -2.464443 logG= -0.683804 TDE= -4.588113 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101088 tlogG= -0.585879 logG= -0.686968 Density= 3.497762 ETOT(band)= -1.772662 trlgG= -2.468289 logG= -0.686968 TDE= -4.587983 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.102284 tlogG= -0.577258 logG= -0.679542 Density= 3.500542 ETOT(band)= -1.764251 trlgG= -2.457110 logG= -0.679542 TDE= -4.586460 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102099 tlogG= -0.577983 logG= -0.680082 Density= 3.500098 ETOT(band)= -1.765166 trlgG= -2.457844 logG= -0.680082 TDE= -4.586297 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101013 tlogG= -0.590279 logG= -0.691292 Density= 3.497483 ETOT(band)= -1.775749 trlgG= -2.476429 logG= -0.691292 TDE= -4.591575 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101252 tlogG= -0.587560 logG= -0.688812 Density= 3.498052 ETOT(band)= -1.773410 trlgG= -2.472679 logG= -0.688812 TDE= -4.590761 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101365 tlogG= -0.585144 logG= -0.686509 Density= 3.498556 ETOT(band)= -1.771359 trlgG= -2.467408 logG= -0.686509 TDE= -4.588197 logGD-logG0= -0.102240 tlogG= -0.575547 logG= -0.677787 Density= 3.500340 ETOT(band)= -1.763307 trlgG= -2.454470 logG= -0.677787 TDE= -4.585412 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101416 tlogG= -0.584487 logG= -0.685903 Density= 3.498462 ETOT(band)= -1.771002 trlgG= -2.468032 logG= -0.685903 TDE= -4.589351 logGD-logG0= -0.101607 tlogG= -0.582406 logG= -0.684013 Density= 3.499107 ETOT(band)= -1.769038 trlgG= -2.463739 logG= -0.684013 TDE= -4.587466 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100912 tlogG= -0.588248 logG= -0.689160 Density= 3.497352 ETOT(band)= -1.774634 trlgG= -2.471496 logG= -0.689160 TDE= -4.588668 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101302 tlogG= -0.585437 logG= -0.686738 Density= 3.498503 ETOT(band)= -1.771628 trlgG= -2.467076 logG= -0.686738 TDE= -4.587594 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102472 tlogG= -0.574702 logG= -0.677174 Density= 3.500878 ETOT(band)= -1.762225 trlgG= -2.453167 logG= -0.677174 TDE= -4.585155 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101285 tlogG= -0.585024 logG= -0.686308 Density= 3.498187 ETOT(band)= -1.771639 trlgG= -2.468202 logG= -0.686308 TDE= -4.588897 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.63726953158 eV TrLogG= -1610.65405373426 eV Ratio to renormalize= 1.000423140261 rho-rho_expected=-0.071057496584 nargs= 1 argi=dmft2.def 35) Finished k-point number 36 1 with #bands= 104 19) Finished k-point number 20 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 9) Finished k-point number 10 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= 0.834740241775136 0.831869826770185 0.835157272746140 0.831782558295629 0.835324277116075 0.831704678027115 0.834991035773472 0.831759684892582 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101356 tlogG= -0.584821 logG= -0.686177 Density= 3.498459 ETOT(band)= -1.771137 trlgG= -2.467621 logG= -0.686177 TDE= -4.588664 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100861 tlogG= -0.590821 logG= -0.691682 Density= 3.497211 ETOT(band)= -1.776312 trlgG= -2.476772 logG= -0.691682 TDE= -4.591309 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101001 tlogG= -0.586177 logG= -0.687178 Density= 3.497660 ETOT(band)= -1.772899 trlgG= -2.467173 logG= -0.687178 TDE= -4.586575 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101986 tlogG= -0.578162 logG= -0.680148 Density= 3.499766 ETOT(band)= -1.765485 trlgG= -2.458171 logG= -0.680148 TDE= -4.586292 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.100932 tlogG= -0.590408 logG= -0.691340 Density= 3.497220 ETOT(band)= -1.776015 trlgG= -2.476696 logG= -0.691340 TDE= -4.591583 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100776 tlogG= -0.592776 logG= -0.693552 Density= 3.496896 ETOT(band)= -1.777924 trlgG= -2.480705 logG= -0.693552 TDE= -4.593119 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101084 tlogG= -0.589796 logG= -0.690880 Density= 3.497535 ETOT(band)= -1.775279 trlgG= -2.476255 logG= -0.690880 TDE= -4.591854 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101143 tlogG= -0.585527 logG= -0.686669 Density= 3.497831 ETOT(band)= -1.772240 trlgG= -2.468453 logG= -0.686669 TDE= -4.588501 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101720 tlogG= -0.580962 logG= -0.682683 Density= 3.499227 ETOT(band)= -1.767870 trlgG= -2.462131 logG= -0.682683 TDE= -4.587285 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102218 tlogG= -0.575547 logG= -0.677765 Density= 3.500286 ETOT(band)= -1.763261 trlgG= -2.454392 logG= -0.677765 TDE= -4.585314 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101120 tlogG= -0.591407 logG= -0.692527 Density= 3.497590 ETOT(band)= -1.776272 trlgG= -2.479377 logG= -0.692527 TDE= -4.593374 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.100989 tlogG= -0.587836 logG= -0.688825 logGD-logG0= -0.101313 tlogG= -0.583227 logG= -0.684540 Density= 3.498301 ETOT(band)= -1.770298 trlgG= -2.464435 logG= -0.684540 TDE= -4.586988 Density= 3.497443 ETOT(band)= -1.774149 trlgG= -2.471874 logG= -0.688825 TDE= -4.589454 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101052 tlogG= -0.587892 logG= -0.688944 Density= 3.497858 ETOT(band)= -1.773768 trlgG= -2.470776 logG= -0.688944 TDE= -4.588571 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101262 tlogG= -0.585309 logG= -0.686571 Density= 3.498293 ETOT(band)= -1.771669 trlgG= -2.467460 logG= -0.686571 TDE= -4.587977 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102450 tlogG= -0.574702 logG= -0.677152 Density= 3.500825 ETOT(band)= -1.762180 trlgG= -2.453096 logG= -0.677152 TDE= -4.585063 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101162 tlogG= -0.585530 logG= -0.686692 Density= 3.497948 ETOT(band)= -1.772162 trlgG= -2.467894 logG= -0.686692 TDE= -4.588013 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101280 tlogG= -0.585435 logG= -0.686715 Density= 3.498450 ETOT(band)= -1.771581 trlgG= -2.466998 logG= -0.686715 TDE= -4.587497 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101094 tlogG= -0.587368 logG= -0.688462 Density= 3.497633 ETOT(band)= -1.773616 trlgG= -2.471812 logG= -0.688462 TDE= -4.589908 logGD-logG0= -0.101137 tlogG= -0.587521 logG= -0.688658 Density= 3.497959 ETOT(band)= -1.773406 trlgG= -2.471014 logG= -0.688658 TDE= -4.589176 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101411 tlogG= -0.582761 logG= -0.684172 Density= 3.498480 ETOT(band)= -1.769776 trlgG= -2.464507 logG= -0.684172 TDE= -4.587573 logGD-logG0= -0.102689 tlogG= -0.573816 logG= -0.676504 Density= 3.501417 ETOT(band)= -1.761022 trlgG= -2.451973 logG= -0.676504 TDE= -4.585063 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101527 tlogG= -0.582255 logG= -0.683781 Density= 3.498722 ETOT(band)= -1.769177 trlgG= -2.464370 logG= -0.683781 TDE= -4.588020 logGD-logG0= -0.100793 tlogG= -0.590971 logG= -0.691764 Density= 3.496985 ETOT(band)= -1.776658 trlgG= -2.477039 logG= -0.691764 TDE= -4.591314 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100975 tlogG= -0.588674 logG= -0.689649 Density= 3.497498 ETOT(band)= -1.774652 trlgG= -2.472890 logG= -0.689649 TDE= -4.589691 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101094 tlogG= -0.588135 logG= -0.689229 Density= 3.497713 ETOT(band)= -1.774046 trlgG= -2.472909 logG= -0.689229 TDE= -4.590303 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101810 tlogG= -0.578832 logG= -0.680643 Density= 3.499380 ETOT(band)= -1.766315 trlgG= -2.459022 logG= -0.680643 TDE= -4.586339 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101480 tlogG= -0.584310 logG= -0.685790 Density= 3.498715 ETOT(band)= -1.770544 trlgG= -2.467484 logG= -0.685790 TDE= -4.589121 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101230 tlogG= -0.587560 logG= -0.688790 Density= 3.497999 ETOT(band)= -1.773365 trlgG= -2.472607 logG= -0.688790 TDE= -4.590669 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101876 tlogG= -0.580314 logG= -0.682190 Density= 3.499594 ETOT(band)= -1.767069 trlgG= -2.461697 logG= -0.682190 TDE= -4.587638 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101135 tlogG= -0.589688 logG= -0.690823 Density= 3.497728 ETOT(band)= -1.775007 trlgG= -2.475909 logG= -0.690823 TDE= -4.591720 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101585 tlogG= -0.582406 logG= -0.683990 Density= 3.499054 ETOT(band)= -1.768992 trlgG= -2.463665 logG= -0.683990 TDE= -4.587373 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100991 tlogG= -0.590278 logG= -0.691270 Density= 3.497430 ETOT(band)= -1.775704 trlgG= -2.476363 logG= -0.691270 TDE= -4.591489 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101693 tlogG= -0.581938 logG= -0.683631 Density= 3.499278 ETOT(band)= -1.768456 trlgG= -2.463549 logG= -0.683631 TDE= -4.587796 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101490 tlogG= -0.582840 logG= -0.684330 Density= 3.498896 ETOT(band)= -1.769458 trlgG= -2.463623 logG= -0.684330 TDE= -4.586865 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101394 tlogG= -0.584487 logG= -0.685881 Density= 3.498409 ETOT(band)= -1.770957 trlgG= -2.467959 logG= -0.685881 TDE= -4.589258 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101898 tlogG= -0.578642 logG= -0.680540 Density= 3.499653 ETOT(band)= -1.765935 trlgG= -2.458630 logG= -0.680540 TDE= -4.586268 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100932 tlogG= -0.592110 logG= -0.693042 Density= 3.497189 ETOT(band)= -1.777141 trlgG= -2.479987 logG= -0.693042 TDE= -4.593146 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102169 tlogG= -0.577428 logG= -0.679597 Density= 3.500204 ETOT(band)= -1.764556 trlgG= -2.457400 logG= -0.679597 TDE= -4.586424 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101571 tlogG= -0.581555 logG= -0.683126 Density= 3.498919 ETOT(band)= -1.768579 trlgG= -2.462639 logG= -0.683126 TDE= -4.587103 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101222 tlogG= -0.587101 logG= -0.688323 Density= 3.498111 ETOT(band)= -1.772957 trlgG= -2.470968 logG= -0.688323 TDE= -4.589587 logGD-logG0= -0.101263 tlogG= -0.585023 logG= -0.686286 Density= 3.498134 ETOT(band)= -1.771594 trlgG= -2.468129 logG= -0.686286 TDE= -4.588803 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102262 tlogG= -0.577258 logG= -0.679520 Density= 3.500488 ETOT(band)= -1.764206 trlgG= -2.457041 logG= -0.679520 TDE= -4.586370 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101234 tlogG= -0.585680 logG= -0.686914 Density= 3.498453 ETOT(band)= -1.771764 trlgG= -2.466248 logG= -0.686914 TDE= -4.586550 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101067 tlogG= -0.585878 logG= -0.686945 Density= 3.497709 ETOT(band)= -1.772616 trlgG= -2.468214 logG= -0.686945 TDE= -4.587889 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100891 tlogG= -0.588247 logG= -0.689138 Density= 3.497300 ETOT(band)= -1.774588 trlgG= -2.471424 logG= -0.689138 TDE= -4.588577 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102077 tlogG= -0.577983 logG= -0.680059 Density= 3.500044 ETOT(band)= -1.765121 trlgG= -2.457774 logG= -0.680059 TDE= -4.586207 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101343 tlogG= -0.585143 logG= -0.686486 Density= 3.498503 ETOT(band)= -1.771313 trlgG= -2.467331 logG= -0.686486 TDE= -4.588101 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 Sum of eigenvalues= -1156.60747476819 eV TrLogG= -1610.57918156829 eV Ratio to renormalize= 1.000438294331 rho-rho_expected=-0.073601188661 nargs= 1 argi=dmft2.def 19) Finished k-point number 20 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 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= 105 30) Finished k-point number 31 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 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= 105 21) Finished k-point number 22 1 with #bands= 106 24) Finished k-point number 25 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= 0.834726154167784 0.831855356591843 0.835143213249407 0.831768055020690 0.835310294858620 0.831690144271617 0.834976969386245 0.831745179836689 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101111 tlogG= -0.591409 logG= -0.692521 Density= 3.497569 ETOT(band)= -1.776256 trlgG= -2.479358 logG= -0.692521 TDE= -4.593344 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101977 tlogG= -0.578164 logG= -0.680142 Density= 3.499745 ETOT(band)= -1.765469 trlgG= -2.458147 logG= -0.680142 TDE= -4.586258 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101128 tlogG= -0.587523 logG= -0.688652 Density= 3.497938 ETOT(band)= -1.773390 trlgG= -2.470989 logG= -0.688652 TDE= -4.589141 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101348 tlogG= -0.584823 logG= -0.686171 Density= 3.498438 ETOT(band)= -1.771120 trlgG= -2.467595 logG= -0.686171 TDE= -4.588629 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100966 tlogG= -0.588676 logG= -0.689642 Density= 3.497477 ETOT(band)= -1.774635 trlgG= -2.472865 logG= -0.689642 TDE= -4.589655 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101518 tlogG= -0.582257 logG= -0.683775 Density= 3.498701 ETOT(band)= -1.769160 trlgG= -2.464344 logG= -0.683775 TDE= -4.587984 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102253 tlogG= -0.577260 logG= -0.679514 Density= 3.500467 ETOT(band)= -1.764190 trlgG= -2.457017 logG= -0.679514 TDE= -4.586336 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100992 tlogG= -0.586179 logG= -0.687171 Density= 3.497639 ETOT(band)= -1.772882 trlgG= -2.467147 logG= -0.687171 TDE= -4.586539 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100923 tlogG= -0.592113 logG= -0.693036 Density= 3.497168 ETOT(band)= -1.777125 trlgG= -2.479966 logG= -0.693036 TDE= -4.593114 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101075 tlogG= -0.589799 logG= -0.690874 Density= 3.497514 ETOT(band)= -1.775263 trlgG= -2.476234 logG= -0.690874 TDE= -4.591823 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101305 tlogG= -0.583229 logG= -0.684534 Density= 3.498280 ETOT(band)= -1.770281 trlgG= -2.464407 logG= -0.684534 TDE= -4.586951 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101153 tlogG= -0.585532 logG= -0.686685 Density= 3.497927 ETOT(band)= -1.772145 trlgG= -2.467868 logG= -0.686685 TDE= -4.587976 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102160 tlogG= -0.577431 logG= -0.679591 Density= 3.500182 ETOT(band)= -1.764540 trlgG= -2.457376 logG= -0.679591 TDE= -4.586389 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101889 tlogG= -0.578645 logG= -0.680534 Density= 3.499632 ETOT(band)= -1.765919 trlgG= -2.458602 logG= -0.680534 TDE= -4.586231 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101253 tlogG= -0.585311 logG= -0.686565 Density= 3.498272 ETOT(band)= -1.771653 trlgG= -2.467434 logG= -0.686565 TDE= -4.587940 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101085 tlogG= -0.587370 logG= -0.688455 Density= 3.497612 ETOT(band)= -1.773599 trlgG= -2.471787 logG= -0.688455 TDE= -4.589873 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101712 tlogG= -0.580965 logG= -0.682676 Density= 3.499206 ETOT(band)= -1.767854 trlgG= -2.462106 logG= -0.682676 TDE= -4.587250 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101386 tlogG= -0.584489 logG= -0.685875 Density= 3.498387 ETOT(band)= -1.770941 trlgG= -2.467934 logG= -0.685875 TDE= -4.589223 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100784 tlogG= -0.590973 logG= -0.691757 Density= 3.496964 ETOT(band)= -1.776641 trlgG= -2.477016 logG= -0.691757 TDE= -4.591280 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100853 tlogG= -0.590823 logG= -0.691676 Density= 3.497190 ETOT(band)= -1.776295 trlgG= -2.476749 logG= -0.691676 TDE= -4.591276 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101213 tlogG= -0.587103 logG= -0.688316 Density= 3.498090 ETOT(band)= -1.772941 trlgG= -2.470943 logG= -0.688316 TDE= -4.589551 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102068 tlogG= -0.577985 logG= -0.680053 Density= 3.500023 ETOT(band)= -1.765104 trlgG= -2.457750 logG= -0.680053 TDE= -4.586173 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101043 tlogG= -0.587894 logG= -0.688937 Density= 3.497838 ETOT(band)= -1.773751 trlgG= -2.470752 logG= -0.688937 TDE= -4.588537 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100924 tlogG= -0.590410 logG= -0.691334 Density= 3.497199 ETOT(band)= -1.775998 trlgG= -2.476675 logG= -0.691334 TDE= -4.591551 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101271 tlogG= -0.585437 logG= -0.686708 Density= 3.498429 ETOT(band)= -1.771564 trlgG= -2.466971 logG= -0.686708 TDE= -4.587460 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101222 tlogG= -0.587562 logG= -0.688784 Density= 3.497978 ETOT(band)= -1.773349 trlgG= -2.472583 logG= -0.688784 TDE= -4.590633 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101403 tlogG= -0.582763 logG= -0.684166 Density= 3.498459 ETOT(band)= -1.769759 trlgG= -2.464482 logG= -0.684166 TDE= -4.587537 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100767 tlogG= -0.592779 logG= -0.693546 Density= 3.496875 ETOT(band)= -1.777908 trlgG= -2.480682 logG= -0.693546 TDE= -4.593085 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101126 tlogG= -0.589691 logG= -0.690817 Density= 3.497707 ETOT(band)= -1.774990 trlgG= -2.475888 logG= -0.690817 TDE= -4.591688 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101576 tlogG= -0.582408 logG= -0.683984 Density= 3.499033 ETOT(band)= -1.768975 trlgG= -2.463639 logG= -0.683984 TDE= -4.587337 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101802 tlogG= -0.578835 logG= -0.680636 Density= 3.499359 ETOT(band)= -1.766299 trlgG= -2.458995 logG= -0.680636 TDE= -4.586302 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101134 tlogG= -0.585529 logG= -0.686663 Density= 3.497810 ETOT(band)= -1.772224 trlgG= -2.468428 logG= -0.686663 TDE= -4.588465 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101058 tlogG= -0.585880 logG= -0.686938 Density= 3.497689 ETOT(band)= -1.772599 trlgG= -2.468189 logG= -0.686938 TDE= -4.587853 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102680 tlogG= -0.573818 logG= -0.676498 Density= 3.501395 ETOT(band)= -1.761006 trlgG= -2.451950 logG= -0.676498 TDE= -4.585029 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101562 tlogG= -0.581557 logG= -0.683120 Density= 3.498898 ETOT(band)= -1.768562 trlgG= -2.462612 logG= -0.683120 TDE= -4.587065 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100882 tlogG= -0.588249 logG= -0.689131 Density= 3.497279 ETOT(band)= -1.774571 trlgG= -2.471399 logG= -0.689131 TDE= -4.588542 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101226 tlogG= -0.585682 logG= -0.686907 Density= 3.498432 ETOT(band)= -1.771747 trlgG= -2.466222 logG= -0.686907 TDE= -4.586514 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100983 tlogG= -0.590281 logG= -0.691263 Density= 3.497409 ETOT(band)= -1.775687 trlgG= -2.476341 logG= -0.691263 TDE= -4.591456 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101335 tlogG= -0.585145 logG= -0.686480 Density= 3.498482 ETOT(band)= -1.771296 trlgG= -2.467304 logG= -0.686480 TDE= -4.588064 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102441 tlogG= -0.574704 logG= -0.677145 Density= 3.500804 ETOT(band)= -1.762163 trlgG= -2.453071 logG= -0.677145 TDE= -4.585028 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.100981 tlogG= -0.587838 logG= -0.688819 Density= 3.497422 ETOT(band)= -1.774132 trlgG= -2.471849 logG= -0.688819 TDE= -4.589419 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101472 tlogG= -0.584312 logG= -0.685784 Density= 3.498694 ETOT(band)= -1.770528 trlgG= -2.467459 logG= -0.685784 TDE= -4.589085 logGD-logG0= -0.101254 tlogG= -0.585025 logG= -0.686280 Density= 3.498113 ETOT(band)= -1.771577 trlgG= -2.468104 logG= -0.686280 TDE= -4.588768 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101684 tlogG= -0.581940 logG= -0.683624 Density= 3.499257 ETOT(band)= -1.768440 trlgG= -2.463524 logG= -0.683624 TDE= -4.587760 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101868 tlogG= -0.580316 logG= -0.682184 Density= 3.499573 ETOT(band)= -1.767053 trlgG= -2.461672 logG= -0.682184 TDE= -4.587603 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101481 tlogG= -0.582842 logG= -0.684323 Density= 3.498875 ETOT(band)= -1.769441 trlgG= -2.463596 logG= -0.684323 TDE= -4.586827 logGD-logG0= -0.102209 tlogG= -0.575549 logG= -0.677758 Density= 3.500265 ETOT(band)= -1.763245 trlgG= -2.454365 logG= -0.677758 TDE= -4.585276 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101085 tlogG= -0.588138 logG= -0.689223 Density= 3.497692 ETOT(band)= -1.774029 trlgG= -2.472884 logG= -0.689223 TDE= -4.590267 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 Sum of eigenvalues= -1156.59664811109 eV TrLogG= -1610.55203600810 eV Ratio to renormalize= 1.000444316924 rho-rho_expected=-0.074612091827 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 34) Finished k-point number 35 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= 104 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834737055025251 0.831866571132953 0.835154094682778 0.831779292662110 0.835321110715037 0.831701408757818 0.834987850212403 0.831756422240805 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100999 tlogG= -0.586177 logG= -0.687176 Density= 3.497655 ETOT(band)= -1.772896 trlgG= -2.467167 logG= -0.687176 TDE= -4.586567 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101135 tlogG= -0.587521 logG= -0.688657 Density= 3.497955 ETOT(band)= -1.773403 trlgG= -2.471009 logG= -0.688657 TDE= -4.589169 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101569 tlogG= -0.581555 logG= -0.683124 Density= 3.498914 ETOT(band)= -1.768576 trlgG= -2.462633 logG= -0.683124 TDE= -4.587095 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101065 tlogG= -0.585879 logG= -0.686943 Density= 3.497705 ETOT(band)= -1.772613 trlgG= -2.468209 logG= -0.686943 TDE= -4.587881 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101082 tlogG= -0.589797 logG= -0.690878 Density= 3.497530 ETOT(band)= -1.775276 trlgG= -2.476251 logG= -0.690878 TDE= -4.591848 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101311 tlogG= -0.583227 logG= -0.684538 Density= 3.498296 ETOT(band)= -1.770295 trlgG= -2.464429 logG= -0.684538 TDE= -4.586980 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101050 tlogG= -0.587892 logG= -0.688942 Density= 3.497854 ETOT(band)= -1.773765 trlgG= -2.470771 logG= -0.688942 TDE= -4.588564 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101984 tlogG= -0.578162 logG= -0.680146 Density= 3.499761 ETOT(band)= -1.765482 trlgG= -2.458166 logG= -0.680146 TDE= -4.586285 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101141 tlogG= -0.585527 logG= -0.686668 Density= 3.497826 ETOT(band)= -1.772237 trlgG= -2.468448 logG= -0.686668 TDE= -4.588493 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101092 tlogG= -0.587368 logG= -0.688460 Density= 3.497628 ETOT(band)= -1.773613 trlgG= -2.471806 logG= -0.688460 TDE= -4.589900 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101478 tlogG= -0.584310 logG= -0.685788 Density= 3.498710 ETOT(band)= -1.770541 trlgG= -2.467479 logG= -0.685788 TDE= -4.589113 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102687 tlogG= -0.573816 logG= -0.676503 Density= 3.501412 ETOT(band)= -1.761019 trlgG= -2.451968 logG= -0.676503 TDE= -4.585056 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.100791 tlogG= -0.590971 logG= -0.691762 Density= 3.496981 ETOT(band)= -1.776655 trlgG= -2.477034 logG= -0.691762 TDE= -4.591307 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101118 tlogG= -0.591407 logG= -0.692525 Density= 3.497586 ETOT(band)= -1.776269 trlgG= -2.479373 logG= -0.692525 TDE= -4.593368 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102448 tlogG= -0.574702 logG= -0.677150 Density= 3.500820 ETOT(band)= -1.762177 trlgG= -2.453090 logG= -0.677150 TDE= -4.585056 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.100930 tlogG= -0.590408 logG= -0.691338 Density= 3.497215 ETOT(band)= -1.776011 trlgG= -2.476692 logG= -0.691338 TDE= -4.591577 logGD-logG0= -0.100774 tlogG= -0.592776 logG= -0.693551 Density= 3.496891 ETOT(band)= -1.777921 trlgG= -2.480700 logG= -0.693551 TDE= -4.593112 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101260 tlogG= -0.585309 logG= -0.686569 Density= 3.498288 ETOT(band)= -1.771666 trlgG= -2.467455 logG= -0.686569 TDE= -4.587969 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100973 tlogG= -0.588674 logG= -0.689647 Density= 3.497493 ETOT(band)= -1.774648 trlgG= -2.472885 logG= -0.689647 TDE= -4.589683 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101808 tlogG= -0.578833 logG= -0.680641 Density= 3.499375 ETOT(band)= -1.766312 trlgG= -2.459017 logG= -0.680641 TDE= -4.586331 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101160 tlogG= -0.585530 logG= -0.686690 Density= 3.497943 ETOT(band)= -1.772159 trlgG= -2.467889 logG= -0.686690 TDE= -4.588005 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100930 tlogG= -0.592111 logG= -0.693041 Density= 3.497184 ETOT(band)= -1.777138 trlgG= -2.479982 logG= -0.693041 TDE= -4.593139 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101583 tlogG= -0.582406 logG= -0.683989 Density= 3.499049 ETOT(band)= -1.768989 trlgG= -2.463659 logG= -0.683989 TDE= -4.587365 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100987 tlogG= -0.587836 logG= -0.688823 Density= 3.497438 ETOT(band)= -1.774146 trlgG= -2.471869 logG= -0.688823 TDE= -4.589447 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101261 tlogG= -0.585023 logG= -0.686284 Density= 3.498130 ETOT(band)= -1.771591 trlgG= -2.468124 logG= -0.686284 TDE= -4.588796 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101354 tlogG= -0.584821 logG= -0.686176 Density= 3.498455 ETOT(band)= -1.771134 trlgG= -2.467615 logG= -0.686176 TDE= -4.588657 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102260 tlogG= -0.577258 logG= -0.679518 Density= 3.500484 ETOT(band)= -1.764203 trlgG= -2.457036 logG= -0.679518 TDE= -4.586363 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100889 tlogG= -0.588247 logG= -0.689136 Density= 3.497295 ETOT(band)= -1.774585 trlgG= -2.471418 logG= -0.689136 TDE= -4.588569 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101278 tlogG= -0.585435 logG= -0.686713 Density= 3.498445 ETOT(band)= -1.771578 trlgG= -2.466992 logG= -0.686713 TDE= -4.587489 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101228 tlogG= -0.587560 logG= -0.688789 Density= 3.497994 ETOT(band)= -1.773362 trlgG= -2.472602 logG= -0.688789 TDE= -4.590661 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102216 tlogG= -0.575547 logG= -0.677763 Density= 3.500281 ETOT(band)= -1.763258 trlgG= -2.454386 logG= -0.677763 TDE= -4.585306 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101220 tlogG= -0.587101 logG= -0.688321 Density= 3.498106 ETOT(band)= -1.772954 trlgG= -2.470963 logG= -0.688321 TDE= -4.589579 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100859 tlogG= -0.590821 logG= -0.691680 Density= 3.497206 ETOT(band)= -1.776309 trlgG= -2.476767 logG= -0.691680 TDE= -4.591302 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101718 tlogG= -0.580963 logG= -0.682681 Density= 3.499222 ETOT(band)= -1.767867 trlgG= -2.462125 logG= -0.682681 TDE= -4.587278 logGD-logG0= -0.101133 tlogG= -0.589689 logG= -0.690822 Density= 3.497723 ETOT(band)= -1.775004 trlgG= -2.475904 logG= -0.690822 TDE= -4.591713 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101409 tlogG= -0.582761 logG= -0.684170 Density= 3.498475 ETOT(band)= -1.769773 trlgG= -2.464502 logG= -0.684170 TDE= -4.587565 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101874 tlogG= -0.580314 logG= -0.682189 Density= 3.499589 ETOT(band)= -1.767066 trlgG= -2.461692 logG= -0.682189 TDE= -4.587631 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101896 tlogG= -0.578643 logG= -0.680538 Density= 3.499648 ETOT(band)= -1.765932 trlgG= -2.458624 logG= -0.680538 TDE= -4.586260 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102167 tlogG= -0.577428 logG= -0.679595 Density= 3.500199 ETOT(band)= -1.764553 trlgG= -2.457395 logG= -0.679595 TDE= -4.586416 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101525 tlogG= -0.582255 logG= -0.683780 Density= 3.498717 ETOT(band)= -1.769174 trlgG= -2.464364 logG= -0.683780 TDE= -4.588012 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101691 tlogG= -0.581938 logG= -0.683629 Density= 3.499273 ETOT(band)= -1.768453 trlgG= -2.463544 logG= -0.683629 TDE= -4.587788 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101092 tlogG= -0.588136 logG= -0.689227 Density= 3.497709 ETOT(band)= -1.774043 trlgG= -2.472904 logG= -0.689227 TDE= -4.590295 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101393 tlogG= -0.584487 logG= -0.685879 Density= 3.498404 ETOT(band)= -1.770954 trlgG= -2.467954 logG= -0.685879 TDE= -4.589251 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102075 tlogG= -0.577983 logG= -0.680057 Density= 3.500039 ETOT(band)= -1.765118 trlgG= -2.457769 logG= -0.680057 TDE= -4.586200 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101341 tlogG= -0.585143 logG= -0.686484 Density= 3.498499 ETOT(band)= -1.771309 trlgG= -2.467325 logG= -0.686484 TDE= -4.588093 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101232 tlogG= -0.585680 logG= -0.686912 Density= 3.498448 ETOT(band)= -1.771761 trlgG= -2.466243 logG= -0.686912 TDE= -4.586543 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101488 tlogG= -0.582840 logG= -0.684328 Density= 3.498891 ETOT(band)= -1.769454 trlgG= -2.463618 logG= -0.684328 TDE= -4.586857 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100989 tlogG= -0.590279 logG= -0.691268 Density= 3.497426 ETOT(band)= -1.775701 trlgG= -2.476358 logG= -0.691268 TDE= -4.591482 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.60547161903 eV TrLogG= -1610.57321526563 eV Ratio to renormalize= 1.000439692976 rho-rho_expected=-0.073835954782 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 19) Finished k-point number 20 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834719720490633 0.831848855198851 0.835136776760261 0.831761544401897 0.835303914053018 0.831683611698479 0.834970554990959 0.831738662088533 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100763 tlogG= -0.592778 logG= -0.693542 Density= 3.496865 ETOT(band)= -1.777899 trlgG= -2.480668 logG= -0.693542 TDE= -4.593068 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101300 tlogG= -0.583229 logG= -0.684529 Density= 3.498270 ETOT(band)= -1.770272 trlgG= -2.464392 logG= -0.684529 TDE= -4.586932 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101124 tlogG= -0.587523 logG= -0.688647 Density= 3.497929 ETOT(band)= -1.773380 trlgG= -2.470975 logG= -0.688647 TDE= -4.589123 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100988 tlogG= -0.586178 logG= -0.687167 Density= 3.497629 ETOT(band)= -1.772873 trlgG= -2.467132 logG= -0.687167 TDE= -4.586520 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101382 tlogG= -0.584489 logG= -0.685870 Density= 3.498377 ETOT(band)= -1.770932 trlgG= -2.467920 logG= -0.685870 TDE= -4.589204 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101107 tlogG= -0.591409 logG= -0.692517 Density= 3.497559 ETOT(band)= -1.776247 trlgG= -2.479346 logG= -0.692517 TDE= -4.593328 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102437 tlogG= -0.574704 logG= -0.677141 Density= 3.500793 ETOT(band)= -1.762154 trlgG= -2.453057 logG= -0.677141 TDE= -4.585010 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.100962 tlogG= -0.588676 logG= -0.689638 Density= 3.497467 ETOT(band)= -1.774625 trlgG= -2.472851 logG= -0.689638 TDE= -4.589637 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100848 tlogG= -0.590823 logG= -0.691671 Density= 3.497180 ETOT(band)= -1.776286 trlgG= -2.476735 logG= -0.691671 TDE= -4.591259 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101071 tlogG= -0.589799 logG= -0.690870 Density= 3.497504 ETOT(band)= -1.775254 trlgG= -2.476222 logG= -0.690870 TDE= -4.591806 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101572 tlogG= -0.582407 logG= -0.683979 Density= 3.499023 ETOT(band)= -1.768965 trlgG= -2.463625 logG= -0.683979 TDE= -4.587319 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102676 tlogG= -0.573818 logG= -0.676494 Density= 3.501385 ETOT(band)= -1.760997 trlgG= -2.451936 logG= -0.676494 TDE= -4.585011 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101250 tlogG= -0.585025 logG= -0.686275 Density= 3.498104 ETOT(band)= -1.771568 trlgG= -2.468089 logG= -0.686275 TDE= -4.588749 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101081 tlogG= -0.588137 logG= -0.689218 Density= 3.497682 ETOT(band)= -1.774020 trlgG= -2.472870 logG= -0.689218 TDE= -4.590249 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101249 tlogG= -0.585311 logG= -0.686560 Density= 3.498262 ETOT(band)= -1.771643 trlgG= -2.467419 logG= -0.686560 TDE= -4.587922 logGD-logG0= -0.101973 tlogG= -0.578164 logG= -0.680137 Density= 3.499735 ETOT(band)= -1.765459 trlgG= -2.458133 logG= -0.680137 TDE= -4.586240 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101081 tlogG= -0.587370 logG= -0.688451 Density= 3.497602 ETOT(band)= -1.773590 trlgG= -2.471772 logG= -0.688451 TDE= -4.589854 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101344 tlogG= -0.584823 logG= -0.686166 Density= 3.498428 ETOT(band)= -1.771111 trlgG= -2.467580 logG= -0.686166 TDE= -4.588610 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101468 tlogG= -0.584312 logG= -0.685779 Density= 3.498684 ETOT(band)= -1.770518 trlgG= -2.467445 logG= -0.685779 TDE= -4.589067 logGD-logG0= -0.101331 tlogG= -0.585145 logG= -0.686475 Density= 3.498473 ETOT(band)= -1.771286 trlgG= -2.467289 logG= -0.686475 TDE= -4.588045 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101039 tlogG= -0.587894 logG= -0.688932 Density= 3.497828 ETOT(band)= -1.773742 trlgG= -2.470738 logG= -0.688932 TDE= -4.588519 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101864 tlogG= -0.580316 logG= -0.682180 Density= 3.499563 ETOT(band)= -1.767044 trlgG= -2.461658 logG= -0.682180 TDE= -4.587584 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101798 tlogG= -0.578834 logG= -0.680632 Density= 3.499349 ETOT(band)= -1.766289 trlgG= -2.458980 logG= -0.680632 TDE= -4.586282 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101680 tlogG= -0.581940 logG= -0.683620 Density= 3.499247 ETOT(band)= -1.768430 trlgG= -2.463509 logG= -0.683620 TDE= -4.587742 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102249 tlogG= -0.577260 logG= -0.679509 Density= 3.500457 ETOT(band)= -1.764180 trlgG= -2.457003 logG= -0.679509 TDE= -4.586318 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101130 tlogG= -0.585529 logG= -0.686659 Density= 3.497800 ETOT(band)= -1.772214 trlgG= -2.468413 logG= -0.686659 TDE= -4.588446 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101398 tlogG= -0.582763 logG= -0.684161 Density= 3.498449 ETOT(band)= -1.769750 trlgG= -2.464467 logG= -0.684161 TDE= -4.587519 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101558 tlogG= -0.581557 logG= -0.683115 Density= 3.498888 ETOT(band)= -1.768553 trlgG= -2.462597 logG= -0.683115 TDE= -4.587046 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101477 tlogG= -0.582841 logG= -0.684318 Density= 3.498865 ETOT(band)= -1.769431 trlgG= -2.463581 logG= -0.684318 TDE= -4.586808 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100977 tlogG= -0.587838 logG= -0.688814 Density= 3.497412 ETOT(band)= -1.774123 trlgG= -2.471834 logG= -0.688814 TDE= -4.589400 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101054 tlogG= -0.585880 logG= -0.686934 Density= 3.497679 ETOT(band)= -1.772590 trlgG= -2.468174 logG= -0.686934 TDE= -4.587835 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100978 tlogG= -0.590280 logG= -0.691259 Density= 3.497399 ETOT(band)= -1.775678 trlgG= -2.476327 logG= -0.691259 TDE= -4.591439 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102205 tlogG= -0.575549 logG= -0.677754 Density= 3.500255 ETOT(band)= -1.763235 trlgG= -2.454350 logG= -0.677754 TDE= -4.585257 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102156 tlogG= -0.577430 logG= -0.679586 Density= 3.500172 ETOT(band)= -1.764530 trlgG= -2.457362 logG= -0.679586 TDE= -4.586371 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101267 tlogG= -0.585437 logG= -0.686704 Density= 3.498419 ETOT(band)= -1.771555 trlgG= -2.466956 logG= -0.686704 TDE= -4.587441 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100920 tlogG= -0.590410 logG= -0.691329 Density= 3.497189 ETOT(band)= -1.775989 trlgG= -2.476661 logG= -0.691329 TDE= -4.591534 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101707 tlogG= -0.580964 logG= -0.682672 Density= 3.499196 ETOT(band)= -1.767844 trlgG= -2.462091 logG= -0.682672 TDE= -4.587231 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101149 tlogG= -0.585531 logG= -0.686681 Density= 3.497917 ETOT(band)= -1.772135 trlgG= -2.467853 logG= -0.686681 TDE= -4.587958 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100878 tlogG= -0.588249 logG= -0.689127 Density= 3.497269 ETOT(band)= -1.774562 trlgG= -2.471385 logG= -0.689127 TDE= -4.588524 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101514 tlogG= -0.582257 logG= -0.683771 Density= 3.498691 ETOT(band)= -1.769151 trlgG= -2.464330 logG= -0.683771 TDE= -4.587966 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101218 tlogG= -0.587562 logG= -0.688780 Density= 3.497968 ETOT(band)= -1.773340 trlgG= -2.472568 logG= -0.688780 TDE= -4.590615 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101209 tlogG= -0.587103 logG= -0.688312 Density= 3.498080 ETOT(band)= -1.772931 trlgG= -2.470929 logG= -0.688312 TDE= -4.589533 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101222 tlogG= -0.585681 logG= -0.686903 Density= 3.498423 ETOT(band)= -1.771737 trlgG= -2.466206 logG= -0.686903 TDE= -4.586495 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100919 tlogG= -0.592113 logG= -0.693032 Density= 3.497158 ETOT(band)= -1.777116 trlgG= -2.479953 logG= -0.693032 TDE= -4.593097 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101885 tlogG= -0.578644 logG= -0.680529 Density= 3.499622 ETOT(band)= -1.765909 trlgG= -2.458587 logG= -0.680529 TDE= -4.586212 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100780 tlogG= -0.590973 logG= -0.691753 Density= 3.496955 ETOT(band)= -1.776632 trlgG= -2.477002 logG= -0.691753 TDE= -4.591263 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101122 tlogG= -0.589691 logG= -0.690813 Density= 3.497697 ETOT(band)= -1.774981 trlgG= -2.475875 logG= -0.690813 TDE= -4.591671 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102064 tlogG= -0.577985 logG= -0.680048 Density= 3.500013 ETOT(band)= -1.765095 trlgG= -2.457736 logG= -0.680048 TDE= -4.586155 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1156.59056489145 eV TrLogG= -1610.53738637308 eV Ratio to renormalize= 1.000447166897 rho-rho_expected=-0.075090460744 nargs= 1 argi=dmft2.def 29) Finished k-point number 30 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 5) Finished k-point number 6 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= 105 25) Finished k-point number 26 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 0) Finished k-point number 1 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= 0.834727439080738 0.831856749962712 0.835144499207785 0.831769448469103 0.835311568857104 0.831691544030761 0.834978252540255 0.831746577386602 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101086 tlogG= -0.587369 logG= -0.688455 Density= 3.497614 ETOT(band)= -1.773600 trlgG= -2.471788 logG= -0.688455 TDE= -4.589875 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102680 tlogG= -0.573817 logG= -0.676498 Density= 3.501397 ETOT(band)= -1.761007 trlgG= -2.451951 logG= -0.676498 TDE= -4.585031 logGD-logG0= -0.101076 tlogG= -0.589798 logG= -0.690874 Density= 3.497516 ETOT(band)= -1.775264 trlgG= -2.476235 logG= -0.690874 TDE= -4.591825 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101305 tlogG= -0.583228 logG= -0.684533 Density= 3.498282 ETOT(band)= -1.770282 trlgG= -2.464408 logG= -0.684533 TDE= -4.586953 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101519 tlogG= -0.582256 logG= -0.683775 Density= 3.498703 ETOT(band)= -1.769161 trlgG= -2.464345 logG= -0.683775 TDE= -4.587987 logGD-logG0= -0.101563 tlogG= -0.581556 logG= -0.683119 Density= 3.498899 ETOT(band)= -1.768563 trlgG= -2.462613 logG= -0.683119 TDE= -4.587068 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101712 tlogG= -0.580964 logG= -0.682676 Density= 3.499208 ETOT(band)= -1.767855 trlgG= -2.462107 logG= -0.682676 TDE= -4.587252 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100853 tlogG= -0.590822 logG= -0.691675 Density= 3.497192 ETOT(band)= -1.776296 trlgG= -2.476750 logG= -0.691675 TDE= -4.591278 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101112 tlogG= -0.591408 logG= -0.692521 Density= 3.497571 ETOT(band)= -1.776257 trlgG= -2.479358 logG= -0.692521 TDE= -4.593346 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.100993 tlogG= -0.586178 logG= -0.687171 Density= 3.497641 ETOT(band)= -1.772883 trlgG= -2.467148 logG= -0.687171 TDE= -4.586541 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101335 tlogG= -0.585144 logG= -0.686479 Density= 3.498484 ETOT(band)= -1.771297 trlgG= -2.467305 logG= -0.686479 TDE= -4.588067 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101154 tlogG= -0.585531 logG= -0.686685 Density= 3.497928 ETOT(band)= -1.772146 trlgG= -2.467869 logG= -0.686685 TDE= -4.587979 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101254 tlogG= -0.585310 logG= -0.686564 Density= 3.498274 ETOT(band)= -1.771653 trlgG= -2.467435 logG= -0.686564 TDE= -4.587943 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101482 tlogG= -0.582841 logG= -0.684323 Density= 3.498876 ETOT(band)= -1.769442 trlgG= -2.463597 logG= -0.684323 TDE= -4.586830 logGD-logG0= -0.101349 tlogG= -0.584822 logG= -0.686171 Density= 3.498440 ETOT(band)= -1.771121 trlgG= -2.467596 logG= -0.686171 TDE= -4.588631 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101135 tlogG= -0.585528 logG= -0.686663 Density= 3.497812 ETOT(band)= -1.772225 trlgG= -2.468429 logG= -0.686663 TDE= -4.588467 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100768 tlogG= -0.592778 logG= -0.693546 Density= 3.496877 ETOT(band)= -1.777909 trlgG= -2.480682 logG= -0.693546 TDE= -4.593088 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.100983 tlogG= -0.590280 logG= -0.691263 Density= 3.497411 ETOT(band)= -1.775688 trlgG= -2.476341 logG= -0.691263 TDE= -4.591458 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101127 tlogG= -0.589690 logG= -0.690817 Density= 3.497709 ETOT(band)= -1.774991 trlgG= -2.475888 logG= -0.690817 TDE= -4.591690 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101086 tlogG= -0.588137 logG= -0.689222 Density= 3.497694 ETOT(band)= -1.774030 trlgG= -2.472885 logG= -0.689222 TDE= -4.590269 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101802 tlogG= -0.578834 logG= -0.680636 Density= 3.499361 ETOT(band)= -1.766299 trlgG= -2.458996 logG= -0.680636 TDE= -4.586304 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101129 tlogG= -0.587522 logG= -0.688651 Density= 3.497940 ETOT(band)= -1.773391 trlgG= -2.470990 logG= -0.688651 TDE= -4.589143 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102210 tlogG= -0.575548 logG= -0.677758 Density= 3.500267 ETOT(band)= -1.763246 trlgG= -2.454366 logG= -0.677758 TDE= -4.585279 logGD-logG0= -0.101978 tlogG= -0.578163 logG= -0.680141 Density= 3.499746 ETOT(band)= -1.765470 trlgG= -2.458148 logG= -0.680141 TDE= -4.586260 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.100982 tlogG= -0.587837 logG= -0.688818 Density= 3.497423 ETOT(band)= -1.774133 trlgG= -2.471850 logG= -0.688818 TDE= -4.589421 logGD-logG0= -0.101044 tlogG= -0.587893 logG= -0.688937 Density= 3.497839 ETOT(band)= -1.773752 trlgG= -2.470753 logG= -0.688937 TDE= -4.588539 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101685 tlogG= -0.581939 logG= -0.683624 Density= 3.499258 ETOT(band)= -1.768441 trlgG= -2.463525 logG= -0.683624 TDE= -4.587763 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101272 tlogG= -0.585436 logG= -0.686708 Density= 3.498431 ETOT(band)= -1.771565 trlgG= -2.466972 logG= -0.686708 TDE= -4.587462 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100785 tlogG= -0.590972 logG= -0.691757 Density= 3.496966 ETOT(band)= -1.776642 trlgG= -2.477017 logG= -0.691757 TDE= -4.591282 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100883 tlogG= -0.588248 logG= -0.689131 Density= 3.497281 ETOT(band)= -1.774572 trlgG= -2.471400 logG= -0.689131 TDE= -4.588544 logGD-logG0= -0.100924 tlogG= -0.592112 logG= -0.693036 Density= 3.497170 ETOT(band)= -1.777126 trlgG= -2.479966 logG= -0.693036 TDE= -4.593116 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101059 tlogG= -0.585879 logG= -0.686938 Density= 3.497690 ETOT(band)= -1.772600 trlgG= -2.468190 logG= -0.686938 TDE= -4.587856 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101222 tlogG= -0.587561 logG= -0.688784 Density= 3.497980 ETOT(band)= -1.773350 trlgG= -2.472584 logG= -0.688784 TDE= -4.590636 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102161 tlogG= -0.577430 logG= -0.679590 Density= 3.500184 ETOT(band)= -1.764541 trlgG= -2.457377 logG= -0.679590 TDE= -4.586392 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101577 tlogG= -0.582407 logG= -0.683983 Density= 3.499035 ETOT(band)= -1.768976 trlgG= -2.463640 logG= -0.683983 TDE= -4.587339 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100925 tlogG= -0.590409 logG= -0.691333 Density= 3.497201 ETOT(band)= -1.775999 trlgG= -2.476675 logG= -0.691333 TDE= -4.591553 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101226 tlogG= -0.585681 logG= -0.686907 Density= 3.498434 ETOT(band)= -1.771748 trlgG= -2.466223 logG= -0.686907 TDE= -4.586516 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101255 tlogG= -0.585024 logG= -0.686279 Density= 3.498115 ETOT(band)= -1.771578 trlgG= -2.468105 logG= -0.686279 TDE= -4.588770 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100967 tlogG= -0.588675 logG= -0.689642 Density= 3.497478 ETOT(band)= -1.774636 trlgG= -2.472866 logG= -0.689642 TDE= -4.589658 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101472 tlogG= -0.584311 logG= -0.685783 Density= 3.498696 ETOT(band)= -1.770529 trlgG= -2.467460 logG= -0.685783 TDE= -4.589088 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101868 tlogG= -0.580315 logG= -0.682184 Density= 3.499574 ETOT(band)= -1.767054 trlgG= -2.461673 logG= -0.682184 TDE= -4.587605 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101890 tlogG= -0.578644 logG= -0.680533 Density= 3.499634 ETOT(band)= -1.765920 trlgG= -2.458603 logG= -0.680533 TDE= -4.586233 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102069 tlogG= -0.577984 logG= -0.680053 Density= 3.500025 ETOT(band)= -1.765105 trlgG= -2.457751 logG= -0.680053 TDE= -4.586175 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101214 tlogG= -0.587102 logG= -0.688316 Density= 3.498092 ETOT(band)= -1.772942 trlgG= -2.470944 logG= -0.688316 TDE= -4.589554 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101403 tlogG= -0.582762 logG= -0.684165 Density= 3.498460 ETOT(band)= -1.769760 trlgG= -2.464483 logG= -0.684165 TDE= -4.587539 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102254 tlogG= -0.577259 logG= -0.679513 Density= 3.500469 ETOT(band)= -1.764191 trlgG= -2.457018 logG= -0.679513 TDE= -4.586338 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102442 tlogG= -0.574703 logG= -0.677145 Density= 3.500805 ETOT(band)= -1.762164 trlgG= -2.453072 logG= -0.677145 TDE= -4.585030 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101387 tlogG= -0.584488 logG= -0.685874 Density= 3.498389 ETOT(band)= -1.770942 trlgG= -2.467935 logG= -0.685874 TDE= -4.589225 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.59727546102 eV TrLogG= -1610.55345670367 eV Ratio to renormalize= 1.000443833575 rho-rho_expected=-0.074530961325 nargs= 1 argi=dmft2.def 39) Finished k-point number 40 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 8) Finished k-point number 9 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= 105 44) Finished k-point number 45 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834744947338487 0.831874713274149 0.835161957204697 0.831787456156990 0.835328945802988 0.831709584361209 0.834995733651366 0.831764583616641 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101003 tlogG= -0.586174 logG= -0.687178 Density= 3.497666 ETOT(band)= -1.772906 trlgG= -2.467180 logG= -0.687178 TDE= -4.586587 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101140 tlogG= -0.587519 logG= -0.688658 Density= 3.497966 ETOT(band)= -1.773412 trlgG= -2.471021 logG= -0.688658 TDE= -4.589188 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101054 tlogG= -0.587889 logG= -0.688944 Density= 3.497865 ETOT(band)= -1.773774 trlgG= -2.470782 logG= -0.688944 TDE= -4.588583 logGD-logG0= -0.101123 tlogG= -0.591404 logG= -0.692527 Density= 3.497597 ETOT(band)= -1.776278 trlgG= -2.479382 logG= -0.692527 TDE= -4.593384 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100779 tlogG= -0.592773 logG= -0.693552 Density= 3.496903 ETOT(band)= -1.777931 trlgG= -2.480711 logG= -0.693552 TDE= -4.593130 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101138 tlogG= -0.589686 logG= -0.690823 Density= 3.497735 ETOT(band)= -1.775013 trlgG= -2.475914 logG= -0.690823 TDE= -4.591731 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101359 tlogG= -0.584818 logG= -0.686177 Density= 3.498466 ETOT(band)= -1.771143 trlgG= -2.467627 logG= -0.686177 TDE= -4.588676 logGD-logG0= -0.101145 tlogG= -0.585524 logG= -0.686669 Density= 3.497837 ETOT(band)= -1.772247 trlgG= -2.468460 logG= -0.686669 TDE= -4.588513 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101574 tlogG= -0.581552 logG= -0.683126 Density= 3.498925 ETOT(band)= -1.768585 trlgG= -2.462647 logG= -0.683126 TDE= -4.587115 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101316 tlogG= -0.583224 logG= -0.684540 Density= 3.498307 ETOT(band)= -1.770304 trlgG= -2.464442 logG= -0.684540 TDE= -4.587001 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101900 tlogG= -0.578640 logG= -0.680540 Density= 3.499659 ETOT(band)= -1.765942 trlgG= -2.458637 logG= -0.680540 TDE= -4.586281 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101989 tlogG= -0.578159 logG= -0.680148 Density= 3.499772 ETOT(band)= -1.765491 trlgG= -2.458177 logG= -0.680148 TDE= -4.586304 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.100864 tlogG= -0.590818 logG= -0.691682 Density= 3.497217 ETOT(band)= -1.776318 trlgG= -2.476778 logG= -0.691682 TDE= -4.591321 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.100994 tlogG= -0.590275 logG= -0.691269 Density= 3.497437 ETOT(band)= -1.775710 trlgG= -2.476369 logG= -0.691269 TDE= -4.591500 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101096 tlogG= -0.587365 logG= -0.688462 Density= 3.497640 ETOT(band)= -1.773622 trlgG= -2.471818 logG= -0.688462 TDE= -4.589920 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100935 tlogG= -0.592108 logG= -0.693042 Density= 3.497195 ETOT(band)= -1.777147 trlgG= -2.479992 logG= -0.693042 TDE= -4.593157 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101086 tlogG= -0.589794 logG= -0.690880 Density= 3.497542 ETOT(band)= -1.775286 trlgG= -2.476260 logG= -0.690880 TDE= -4.591865 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100894 tlogG= -0.588244 logG= -0.689138 Density= 3.497306 ETOT(band)= -1.774594 trlgG= -2.471431 logG= -0.689138 TDE= -4.588588 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101265 tlogG= -0.585306 logG= -0.686571 Density= 3.498300 ETOT(band)= -1.771676 trlgG= -2.467467 logG= -0.686571 TDE= -4.587989 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102221 tlogG= -0.575544 logG= -0.677765 Density= 3.500293 ETOT(band)= -1.763268 trlgG= -2.454399 logG= -0.677765 TDE= -4.585327 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.100978 tlogG= -0.588671 logG= -0.689649 Density= 3.497504 ETOT(band)= -1.774658 trlgG= -2.472897 logG= -0.689649 TDE= -4.589703 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101723 tlogG= -0.580960 logG= -0.682683 Density= 3.499233 ETOT(band)= -1.767876 trlgG= -2.462137 logG= -0.682683 TDE= -4.587297 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101224 tlogG= -0.587098 logG= -0.688323 Density= 3.498117 ETOT(band)= -1.772964 trlgG= -2.470975 logG= -0.688323 TDE= -4.589598 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101165 tlogG= -0.585527 logG= -0.686692 Density= 3.497954 ETOT(band)= -1.772168 trlgG= -2.467902 logG= -0.686692 TDE= -4.588025 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101696 tlogG= -0.581935 logG= -0.683631 Density= 3.499284 ETOT(band)= -1.768462 trlgG= -2.463556 logG= -0.683631 TDE= -4.587808 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101237 tlogG= -0.585677 logG= -0.686914 Density= 3.498460 ETOT(band)= -1.771770 trlgG= -2.466256 logG= -0.686914 TDE= -4.586563 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101266 tlogG= -0.585020 logG= -0.686286 Density= 3.498141 ETOT(band)= -1.771600 trlgG= -2.468136 logG= -0.686286 TDE= -4.588815 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102171 tlogG= -0.577425 logG= -0.679597 Density= 3.500210 ETOT(band)= -1.764562 trlgG= -2.457406 logG= -0.679597 TDE= -4.586435 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101483 tlogG= -0.584307 logG= -0.685790 Density= 3.498722 ETOT(band)= -1.770550 trlgG= -2.467491 logG= -0.685790 TDE= -4.589133 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101096 tlogG= -0.588132 logG= -0.689229 Density= 3.497720 ETOT(band)= -1.774052 trlgG= -2.472916 logG= -0.689229 TDE= -4.590315 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101282 tlogG= -0.585433 logG= -0.686715 Density= 3.498457 ETOT(band)= -1.771588 trlgG= -2.467006 logG= -0.686715 TDE= -4.587509 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102265 tlogG= -0.577255 logG= -0.679520 Density= 3.500495 ETOT(band)= -1.764212 trlgG= -2.457047 logG= -0.679520 TDE= -4.586382 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101529 tlogG= -0.582252 logG= -0.683781 Density= 3.498728 ETOT(band)= -1.769183 trlgG= -2.464376 logG= -0.683781 TDE= -4.588032 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100796 tlogG= -0.590968 logG= -0.691764 Density= 3.496992 ETOT(band)= -1.776664 trlgG= -2.477045 logG= -0.691764 TDE= -4.591325 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102453 tlogG= -0.574699 logG= -0.677152 Density= 3.500831 ETOT(band)= -1.762186 trlgG= -2.453102 logG= -0.677152 TDE= -4.585075 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101588 tlogG= -0.582403 logG= -0.683990 Density= 3.499060 ETOT(band)= -1.768998 trlgG= -2.463672 logG= -0.683990 TDE= -4.587385 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101397 tlogG= -0.584484 logG= -0.685881 Density= 3.498415 ETOT(band)= -1.770963 trlgG= -2.467966 logG= -0.685881 TDE= -4.589270 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101346 tlogG= -0.585140 logG= -0.686486 Density= 3.498510 ETOT(band)= -1.771319 trlgG= -2.467338 logG= -0.686486 TDE= -4.588113 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101492 tlogG= -0.582837 logG= -0.684330 Density= 3.498902 ETOT(band)= -1.769464 trlgG= -2.463631 logG= -0.684330 TDE= -4.586878 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102079 tlogG= -0.577980 logG= -0.680059 Density= 3.500051 ETOT(band)= -1.765127 trlgG= -2.457780 logG= -0.680059 TDE= -4.586219 logGD-logG0= -0.100992 tlogG= -0.587833 logG= -0.688825 Density= 3.497449 ETOT(band)= -1.774155 trlgG= -2.471881 logG= -0.688825 TDE= -4.589466 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101414 tlogG= -0.582758 logG= -0.684172 Density= 3.498486 ETOT(band)= -1.769782 trlgG= -2.464514 logG= -0.684172 TDE= -4.587585 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101069 tlogG= -0.585876 logG= -0.686945 Density= 3.497716 ETOT(band)= -1.772622 trlgG= -2.468221 logG= -0.686945 TDE= -4.587901 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100935 tlogG= -0.590405 logG= -0.691339 Density= 3.497227 ETOT(band)= -1.776021 trlgG= -2.476702 logG= -0.691339 TDE= -4.591595 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101233 tlogG= -0.587557 logG= -0.688790 Density= 3.498006 ETOT(band)= -1.773371 trlgG= -2.472614 logG= -0.688790 TDE= -4.590681 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101879 tlogG= -0.580311 logG= -0.682190 Density= 3.499600 ETOT(band)= -1.767075 trlgG= -2.461704 logG= -0.682190 TDE= -4.587650 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101813 tlogG= -0.578830 logG= -0.680643 Density= 3.499386 ETOT(band)= -1.766322 trlgG= -2.459030 logG= -0.680643 TDE= -4.586352 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102691 tlogG= -0.573813 logG= -0.676504 Density= 3.501423 ETOT(band)= -1.761029 trlgG= -2.451979 logG= -0.676504 TDE= -4.585074 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 Sum of eigenvalues= -1156.61156901953 eV TrLogG= -1610.58691501219 eV Ratio to renormalize= 1.000436464042 rho-rho_expected=-0.073293968932 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 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= 105 44) Finished k-point number 45 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 12) Finished k-point number 13 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= 104 14) Finished k-point number 15 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834745054902129 0.831874805582137 0.835162059762335 0.831787549826374 0.835329052338976 0.831709677616340 0.834995840693060 0.831764677514682 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101191 tlogG= -0.586172 logG= -0.687363 Density= 3.497635 ETOT(band)= -1.772919 trlgG= -2.467391 logG= -0.687363 TDE= -4.586587 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101274 tlogG= -0.589791 logG= -0.691065 Density= 3.497509 ETOT(band)= -1.775299 trlgG= -2.476472 logG= -0.691065 TDE= -4.591865 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102267 tlogG= -0.577978 logG= -0.680245 Density= 3.500015 ETOT(band)= -1.765142 trlgG= -2.457994 logG= -0.680245 TDE= -4.586219 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101052 tlogG= -0.590816 logG= -0.691868 Density= 3.497187 ETOT(band)= -1.776330 trlgG= -2.476988 logG= -0.691868 TDE= -4.591321 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101425 tlogG= -0.585675 logG= -0.687100 Density= 3.498430 ETOT(band)= -1.771781 trlgG= -2.466466 logG= -0.687100 TDE= -4.586563 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100967 tlogG= -0.592771 logG= -0.693738 Density= 3.496872 ETOT(band)= -1.777943 trlgG= -2.480921 logG= -0.693738 TDE= -4.593130 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101242 tlogG= -0.587887 logG= -0.689129 Density= 3.497835 ETOT(band)= -1.773786 trlgG= -2.470992 logG= -0.689129 TDE= -4.588583 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101123 tlogG= -0.592105 logG= -0.693228 Density= 3.497164 ETOT(band)= -1.777160 trlgG= -2.480203 logG= -0.693228 TDE= -4.593157 logGD-logG0= -0.101547 tlogG= -0.584816 logG= -0.686363 Density= 3.498433 ETOT(band)= -1.771156 trlgG= -2.467839 logG= -0.686363 TDE= -4.588676 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101166 tlogG= -0.588669 logG= -0.689834 Density= 3.497473 ETOT(band)= -1.774670 trlgG= -2.473108 logG= -0.689834 TDE= -4.589703 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101311 tlogG= -0.591402 logG= -0.692712 Density= 3.497564 ETOT(band)= -1.776292 trlgG= -2.479594 logG= -0.692712 TDE= -4.593384 logGD-logG0= -0.102088 tlogG= -0.578637 logG= -0.680725 Density= 3.499624 ETOT(band)= -1.765956 trlgG= -2.458851 logG= -0.680725 TDE= -4.586281 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102176 tlogG= -0.578157 logG= -0.680333 Density= 3.499736 ETOT(band)= -1.765507 trlgG= -2.458392 logG= -0.680333 TDE= -4.586304 logGD-logG0= -0.101911 tlogG= -0.580957 logG= -0.682868 Density= 3.499199 ETOT(band)= -1.767891 trlgG= -2.462351 logG= -0.682868 TDE= -4.587297 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101504 tlogG= -0.583222 logG= -0.684726 Density= 3.498274 ETOT(band)= -1.770318 trlgG= -2.464654 logG= -0.684726 TDE= -4.587001 logGD-logG0= -0.101328 tlogG= -0.587516 logG= -0.688844 Density= 3.497935 ETOT(band)= -1.773425 trlgG= -2.471232 logG= -0.688844 TDE= -4.589188 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101453 tlogG= -0.585304 logG= -0.686757 Density= 3.498268 ETOT(band)= -1.771688 trlgG= -2.467679 logG= -0.686757 TDE= -4.587989 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101284 tlogG= -0.587363 logG= -0.688647 Density= 3.497607 ETOT(band)= -1.773635 trlgG= -2.472030 logG= -0.688647 TDE= -4.589920 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101762 tlogG= -0.581550 logG= -0.683312 Density= 3.498891 ETOT(band)= -1.768599 trlgG= -2.462860 logG= -0.683312 TDE= -4.587115 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101602 tlogG= -0.582756 logG= -0.684357 Density= 3.498452 ETOT(band)= -1.769796 trlgG= -2.464727 logG= -0.684357 TDE= -4.587585 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102640 tlogG= -0.574697 logG= -0.677337 Density= 3.500793 ETOT(band)= -1.762202 trlgG= -2.453318 logG= -0.677337 TDE= -4.585075 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101333 tlogG= -0.585522 logG= -0.686855 Density= 3.497805 ETOT(band)= -1.772260 trlgG= -2.468672 logG= -0.686855 TDE= -4.588513 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101470 tlogG= -0.585430 logG= -0.686901 Density= 3.498425 ETOT(band)= -1.771600 trlgG= -2.467216 logG= -0.686901 TDE= -4.587509 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101585 tlogG= -0.584481 logG= -0.686066 Density= 3.498381 ETOT(band)= -1.770977 trlgG= -2.468178 logG= -0.686066 TDE= -4.589270 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102879 tlogG= -0.573811 logG= -0.676689 Density= 3.501384 ETOT(band)= -1.761045 trlgG= -2.452196 logG= -0.676689 TDE= -4.585074 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102359 tlogG= -0.577423 logG= -0.679782 Density= 3.500173 ETOT(band)= -1.764578 trlgG= -2.457621 logG= -0.679782 TDE= -4.586435 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101326 tlogG= -0.589683 logG= -0.691009 Density= 3.497702 ETOT(band)= -1.775026 trlgG= -2.476126 logG= -0.691009 TDE= -4.591731 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102067 tlogG= -0.580309 logG= -0.682376 Density= 3.499565 ETOT(band)= -1.767090 trlgG= -2.461918 logG= -0.682376 TDE= -4.587650 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101353 tlogG= -0.585525 logG= -0.686877 Density= 3.497922 ETOT(band)= -1.772181 trlgG= -2.468113 logG= -0.686877 TDE= -4.588025 logGD-logG0= -0.101453 tlogG= -0.585018 logG= -0.686471 Density= 3.498108 ETOT(band)= -1.771613 trlgG= -2.468348 logG= -0.686471 TDE= -4.588815 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101680 tlogG= -0.582835 logG= -0.684515 Density= 3.498870 ETOT(band)= -1.769476 trlgG= -2.463842 logG= -0.684515 TDE= -4.586878 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101123 tlogG= -0.590402 logG= -0.691525 Density= 3.497195 ETOT(band)= -1.776033 trlgG= -2.476913 logG= -0.691525 TDE= -4.591595 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101284 tlogG= -0.588130 logG= -0.689415 Density= 3.497688 ETOT(band)= -1.774065 trlgG= -2.473127 logG= -0.689415 TDE= -4.590315 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101081 tlogG= -0.588242 logG= -0.689323 Density= 3.497275 ETOT(band)= -1.774607 trlgG= -2.471641 logG= -0.689323 TDE= -4.588588 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101775 tlogG= -0.582401 logG= -0.684176 Density= 3.499027 ETOT(band)= -1.769011 trlgG= -2.463884 logG= -0.684176 TDE= -4.587385 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102452 tlogG= -0.577253 logG= -0.679705 Density= 3.500458 ETOT(band)= -1.764228 trlgG= -2.457262 logG= -0.679705 TDE= -4.586382 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100984 tlogG= -0.590965 logG= -0.691949 Density= 3.496961 ETOT(band)= -1.776676 trlgG= -2.477255 logG= -0.691949 TDE= -4.591325 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101180 tlogG= -0.587831 logG= -0.689011 Density= 3.497417 ETOT(band)= -1.774167 trlgG= -2.472092 logG= -0.689011 TDE= -4.589466 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101534 tlogG= -0.585138 logG= -0.686672 Density= 3.498477 ETOT(band)= -1.771332 trlgG= -2.467550 logG= -0.686672 TDE= -4.588113 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102001 tlogG= -0.578827 logG= -0.680828 Density= 3.499351 ETOT(band)= -1.766336 trlgG= -2.459244 logG= -0.680828 TDE= -4.586352 logGD-logG0= -0.101671 tlogG= -0.584305 logG= -0.685975 Density= 3.498688 ETOT(band)= -1.770564 trlgG= -2.467704 logG= -0.685975 TDE= -4.589133 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101717 tlogG= -0.582250 logG= -0.683967 Density= 3.498694 ETOT(band)= -1.769197 trlgG= -2.464589 logG= -0.683967 TDE= -4.588032 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101257 tlogG= -0.585873 logG= -0.687130 Density= 3.497684 ETOT(band)= -1.772635 trlgG= -2.468433 logG= -0.687130 TDE= -4.587901 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101182 tlogG= -0.590273 logG= -0.691455 Density= 3.497406 ETOT(band)= -1.775722 trlgG= -2.476580 logG= -0.691455 TDE= -4.591500 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101421 tlogG= -0.587555 logG= -0.688976 Density= 3.497973 ETOT(band)= -1.773385 trlgG= -2.472826 logG= -0.688976 TDE= -4.590681 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102408 tlogG= -0.575542 logG= -0.677950 Density= 3.500255 ETOT(band)= -1.763284 trlgG= -2.454615 logG= -0.677950 TDE= -4.585327 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101412 tlogG= -0.587096 logG= -0.688508 Density= 3.498085 ETOT(band)= -1.772977 trlgG= -2.471186 logG= -0.688508 TDE= -4.589598 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101883 tlogG= -0.581933 logG= -0.683816 Density= 3.499250 ETOT(band)= -1.768477 trlgG= -2.463769 logG= -0.683816 TDE= -4.587808 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 Sum of eigenvalues= -1156.62037629061 eV TrLogG= -1610.70807271454 eV Ratio to renormalize= 1.000445951062 rho-rho_expected=-0.074886382802 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 29) Finished k-point number 30 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= 105 26) Finished k-point number 27 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 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 4) Finished k-point number 5 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834745230791871 0.831874991215649 0.835162241361661 0.831787734475181 0.835329226971969 0.831709862548130 0.834996017013022 0.831764860344036 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101328 tlogG= -0.587518 logG= -0.688846 Density= 3.497935 ETOT(band)= -1.773426 trlgG= -2.471234 logG= -0.688846 TDE= -4.589189 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101547 tlogG= -0.584817 logG= -0.686365 Density= 3.498434 ETOT(band)= -1.771157 trlgG= -2.467842 logG= -0.686365 TDE= -4.588678 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101192 tlogG= -0.586173 logG= -0.687365 Density= 3.497635 ETOT(band)= -1.772919 trlgG= -2.467393 logG= -0.687365 TDE= -4.586588 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101284 tlogG= -0.587364 logG= -0.688649 Density= 3.497608 ETOT(band)= -1.773636 trlgG= -2.472032 logG= -0.688649 TDE= -4.589921 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101311 tlogG= -0.591403 logG= -0.692714 Density= 3.497565 ETOT(band)= -1.776292 trlgG= -2.479596 logG= -0.692714 TDE= -4.593386 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102001 tlogG= -0.578829 logG= -0.680830 Density= 3.499351 ETOT(band)= -1.766337 trlgG= -2.459247 logG= -0.680830 TDE= -4.586353 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101242 tlogG= -0.587889 logG= -0.689131 Density= 3.497835 ETOT(band)= -1.773787 trlgG= -2.470995 logG= -0.689131 TDE= -4.588584 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101353 tlogG= -0.585526 logG= -0.686879 Density= 3.497922 ETOT(band)= -1.772182 trlgG= -2.468116 logG= -0.686879 TDE= -4.588027 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102088 tlogG= -0.578639 logG= -0.680727 Density= 3.499625 ETOT(band)= -1.765957 trlgG= -2.458854 logG= -0.680727 TDE= -4.586282 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102177 tlogG= -0.578158 logG= -0.680335 Density= 3.499736 ETOT(band)= -1.765507 trlgG= -2.458394 logG= -0.680335 TDE= -4.586305 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102452 tlogG= -0.577254 logG= -0.679707 Density= 3.500458 ETOT(band)= -1.764229 trlgG= -2.457265 logG= -0.679707 TDE= -4.586383 logGD-logG0= -0.101274 tlogG= -0.589793 logG= -0.691067 Density= 3.497510 ETOT(band)= -1.775299 trlgG= -2.476474 logG= -0.691067 TDE= -4.591866 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100967 tlogG= -0.592773 logG= -0.693740 Density= 3.496872 ETOT(band)= -1.777944 trlgG= -2.480923 logG= -0.693740 TDE= -4.593131 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102408 tlogG= -0.575543 logG= -0.677952 Density= 3.500255 ETOT(band)= -1.763284 trlgG= -2.454618 logG= -0.677952 TDE= -4.585328 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101762 tlogG= -0.581552 logG= -0.683314 Density= 3.498892 ETOT(band)= -1.768600 trlgG= -2.462862 logG= -0.683314 TDE= -4.587117 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101911 tlogG= -0.580959 logG= -0.682870 Density= 3.499199 ETOT(band)= -1.767892 trlgG= -2.462353 logG= -0.682870 TDE= -4.587298 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101453 tlogG= -0.585306 logG= -0.686759 Density= 3.498268 ETOT(band)= -1.771689 trlgG= -2.467681 logG= -0.686759 TDE= -4.587991 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101052 tlogG= -0.590817 logG= -0.691870 Density= 3.497188 ETOT(band)= -1.776330 trlgG= -2.476991 logG= -0.691870 TDE= -4.591322 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101166 tlogG= -0.588670 logG= -0.689836 Density= 3.497474 ETOT(band)= -1.774671 trlgG= -2.473110 logG= -0.689836 TDE= -4.589704 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101333 tlogG= -0.585523 logG= -0.686857 Density= 3.497806 ETOT(band)= -1.772261 trlgG= -2.468674 logG= -0.686857 TDE= -4.588514 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100984 tlogG= -0.590967 logG= -0.691951 Density= 3.496962 ETOT(band)= -1.776677 trlgG= -2.477258 logG= -0.691951 TDE= -4.591326 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101776 tlogG= -0.582402 logG= -0.684178 Density= 3.499028 ETOT(band)= -1.769012 trlgG= -2.463886 logG= -0.684178 TDE= -4.587386 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102267 tlogG= -0.577979 logG= -0.680246 Density= 3.500015 ETOT(band)= -1.765143 trlgG= -2.457997 logG= -0.680246 TDE= -4.586220 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101123 tlogG= -0.592107 logG= -0.693230 Density= 3.497164 ETOT(band)= -1.777161 trlgG= -2.480206 logG= -0.693230 TDE= -4.593158 logGD-logG0= -0.101884 tlogG= -0.581935 logG= -0.683818 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 Density= 3.499250 ETOT(band)= -1.768477 trlgG= -2.463772 logG= -0.683818 TDE= -4.587809 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.102879 tlogG= -0.573812 logG= -0.676691 Density= 3.501384 ETOT(band)= -1.761046 trlgG= -2.452199 logG= -0.676691 TDE= -4.585076 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101285 tlogG= -0.588132 logG= -0.689416 Density= 3.497688 ETOT(band)= -1.774066 trlgG= -2.473130 logG= -0.689416 TDE= -4.590316 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101585 tlogG= -0.584483 logG= -0.686068 Density= 3.498382 ETOT(band)= -1.770978 trlgG= -2.468181 logG= -0.686068 TDE= -4.589272 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101425 tlogG= -0.585677 logG= -0.687102 Density= 3.498430 ETOT(band)= -1.771782 trlgG= -2.466468 logG= -0.687102 TDE= -4.586564 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101717 tlogG= -0.582251 logG= -0.683969 Density= 3.498695 ETOT(band)= -1.769198 trlgG= -2.464592 logG= -0.683969 TDE= -4.588033 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102067 tlogG= -0.580310 logG= -0.682377 Density= 3.499565 ETOT(band)= -1.767091 trlgG= -2.461921 logG= -0.682377 TDE= -4.587651 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101504 tlogG= -0.583224 logG= -0.684728 Density= 3.498275 ETOT(band)= -1.770319 trlgG= -2.464657 logG= -0.684728 TDE= -4.587002 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101534 tlogG= -0.585139 logG= -0.686674 Density= 3.498478 ETOT(band)= -1.771333 trlgG= -2.467553 logG= -0.686674 TDE= -4.588115 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101082 tlogG= -0.588243 logG= -0.689325 Density= 3.497276 ETOT(band)= -1.774608 trlgG= -2.471644 logG= -0.689325 TDE= -4.588590 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101454 tlogG= -0.585020 logG= -0.686473 Density= 3.498109 ETOT(band)= -1.771614 trlgG= -2.468350 logG= -0.686473 TDE= -4.588817 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101602 tlogG= -0.582757 logG= -0.684359 Density= 3.498453 ETOT(band)= -1.769797 trlgG= -2.464729 logG= -0.684359 TDE= -4.587586 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102640 tlogG= -0.574698 logG= -0.677339 Density= 3.500793 ETOT(band)= -1.762203 trlgG= -2.453321 logG= -0.677339 TDE= -4.585076 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101671 tlogG= -0.584306 logG= -0.685977 Density= 3.498689 ETOT(band)= -1.770565 trlgG= -2.467706 logG= -0.685977 TDE= -4.589134 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101182 tlogG= -0.590275 logG= -0.691457 Density= 3.497406 ETOT(band)= -1.775723 trlgG= -2.476582 logG= -0.691457 TDE= -4.591501 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101413 tlogG= -0.587097 logG= -0.688510 Density= 3.498085 ETOT(band)= -1.772977 trlgG= -2.471189 logG= -0.688510 TDE= -4.589600 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101326 tlogG= -0.589685 logG= -0.691011 Density= 3.497703 ETOT(band)= -1.775027 trlgG= -2.476129 logG= -0.691011 TDE= -4.591732 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101471 tlogG= -0.585432 logG= -0.686902 Density= 3.498426 ETOT(band)= -1.771601 trlgG= -2.467219 logG= -0.686902 TDE= -4.587511 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101180 tlogG= -0.587832 logG= -0.689013 Density= 3.497418 ETOT(band)= -1.774168 trlgG= -2.472094 logG= -0.689013 TDE= -4.589467 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102359 tlogG= -0.577425 logG= -0.679784 Density= 3.500174 ETOT(band)= -1.764579 trlgG= -2.457624 logG= -0.679784 TDE= -4.586436 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101123 tlogG= -0.590404 logG= -0.691527 Density= 3.497196 ETOT(band)= -1.776034 trlgG= -2.476916 logG= -0.691527 TDE= -4.591596 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101681 tlogG= -0.582837 logG= -0.684517 Density= 3.498870 ETOT(band)= -1.769477 trlgG= -2.463845 logG= -0.684517 TDE= -4.586879 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101421 tlogG= -0.587556 logG= -0.688978 Density= 3.497973 ETOT(band)= -1.773385 trlgG= -2.472829 logG= -0.688978 TDE= -4.590682 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101257 tlogG= -0.585875 logG= -0.687132 Density= 3.497684 ETOT(band)= -1.772636 trlgG= -2.468435 logG= -0.687132 TDE= -4.587902 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 Sum of eigenvalues= -1156.62089126082 eV TrLogG= -1610.71010390308 eV Ratio to renormalize= 1.000445788429 rho-rho_expected=-0.074859084777 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834745406783024 0.831875145757937 0.835162407212859 0.831787891842401 0.835329401190565 0.831710019131936 0.834996192001694 0.831765018390388 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101128 tlogG= -0.588243 logG= -0.689371 Density= 3.497575 ETOT(band)= -1.774370 trlgG= -2.471448 logG= -0.689371 TDE= -4.588588 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101098 tlogG= -0.590817 logG= -0.691915 Density= 3.497486 ETOT(band)= -1.776093 trlgG= -2.476796 logG= -0.691915 TDE= -4.591321 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101551 tlogG= -0.583223 logG= -0.684774 Density= 3.498577 ETOT(band)= -1.770079 trlgG= -2.464459 logG= -0.684774 TDE= -4.587001 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102927 tlogG= -0.573811 logG= -0.676738 Density= 3.501694 ETOT(band)= -1.760804 trlgG= -2.451996 logG= -0.676738 TDE= -4.585074 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101331 tlogG= -0.587364 logG= -0.688695 Density= 3.497908 ETOT(band)= -1.773398 trlgG= -2.471836 logG= -0.688695 TDE= -4.589920 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101212 tlogG= -0.588670 logG= -0.689882 Density= 3.497773 ETOT(band)= -1.774433 trlgG= -2.472914 logG= -0.689882 TDE= -4.589703 logGD-logG0= -0.101594 tlogG= -0.584817 logG= -0.686410 Density= 3.498735 ETOT(band)= -1.770919 trlgG= -2.467645 logG= -0.686410 TDE= -4.588676 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102048 tlogG= -0.578828 logG= -0.680876 Density= 3.499656 ETOT(band)= -1.766097 trlgG= -2.459047 logG= -0.680876 TDE= -4.586352 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101357 tlogG= -0.591402 logG= -0.692760 Density= 3.497866 ETOT(band)= -1.776054 trlgG= -2.479399 logG= -0.692760 TDE= -4.593384 logGD-logG0= -0.101304 tlogG= -0.585874 logG= -0.687178 Density= 3.497985 ETOT(band)= -1.772397 trlgG= -2.468239 logG= -0.687178 TDE= -4.587901 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.102135 tlogG= -0.578638 logG= -0.680774 Density= 3.499929 ETOT(band)= -1.765717 trlgG= -2.458654 logG= -0.680774 TDE= -4.586281 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101013 tlogG= -0.592772 logG= -0.693785 Density= 3.497171 ETOT(band)= -1.777706 trlgG= -2.480727 logG= -0.693785 TDE= -4.593130 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101809 tlogG= -0.581551 logG= -0.683360 Density= 3.499194 ETOT(band)= -1.768361 trlgG= -2.462664 logG= -0.683360 TDE= -4.587115 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101238 tlogG= -0.586173 logG= -0.687411 Density= 3.497936 ETOT(band)= -1.772681 trlgG= -2.467197 logG= -0.687411 TDE= -4.586586 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102224 tlogG= -0.578158 logG= -0.680382 Density= 3.500042 ETOT(band)= -1.765267 trlgG= -2.458194 logG= -0.680382 TDE= -4.586304 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101380 tlogG= -0.585523 logG= -0.686903 Density= 3.498106 ETOT(band)= -1.772022 trlgG= -2.468477 logG= -0.686903 TDE= -4.588512 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101374 tlogG= -0.587517 logG= -0.688891 Density= 3.498234 ETOT(band)= -1.773189 trlgG= -2.471038 logG= -0.688891 TDE= -4.589188 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101499 tlogG= -0.585305 logG= -0.686804 Density= 3.498568 ETOT(band)= -1.771452 trlgG= -2.467485 logG= -0.686804 TDE= -4.587989 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101030 tlogG= -0.590966 logG= -0.691996 Density= 3.497260 ETOT(band)= -1.776440 trlgG= -2.477062 logG= -0.691996 TDE= -4.591325 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101399 tlogG= -0.585526 logG= -0.686925 Density= 3.498223 ETOT(band)= -1.771943 trlgG= -2.467919 logG= -0.686925 TDE= -4.588025 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101169 tlogG= -0.590403 logG= -0.691573 Density= 3.497495 ETOT(band)= -1.775796 trlgG= -2.476720 logG= -0.691573 TDE= -4.591594 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101958 tlogG= -0.580958 logG= -0.682916 Density= 3.499503 ETOT(band)= -1.767652 trlgG= -2.462155 logG= -0.682916 TDE= -4.587297 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101169 tlogG= -0.592106 logG= -0.693275 Density= 3.497464 ETOT(band)= -1.776923 trlgG= -2.480009 logG= -0.693275 TDE= -4.593157 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101289 tlogG= -0.587888 logG= -0.689177 Density= 3.498133 ETOT(band)= -1.773551 trlgG= -2.470800 logG= -0.689177 TDE= -4.588583 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101321 tlogG= -0.589792 logG= -0.691113 Density= 3.497810 ETOT(band)= -1.775061 trlgG= -2.476278 logG= -0.691113 TDE= -4.591865 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101632 tlogG= -0.584482 logG= -0.686114 Density= 3.498684 ETOT(band)= -1.770739 trlgG= -2.467983 logG= -0.686114 TDE= -4.589270 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101228 tlogG= -0.590274 logG= -0.691502 Density= 3.497705 ETOT(band)= -1.775486 trlgG= -2.476386 logG= -0.691502 TDE= -4.591500 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101227 tlogG= -0.587832 logG= -0.689058 Density= 3.497718 ETOT(band)= -1.773930 trlgG= -2.471898 logG= -0.689058 TDE= -4.589466 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101500 tlogG= -0.585019 logG= -0.686519 logGD-logG0= -0.101471 tlogG= -0.585676 logG= -0.687147 Density= 3.498410 ETOT(band)= -1.771375 trlgG= -2.468153 logG= -0.686519 TDE= -4.588815 Density= 3.498728 ETOT(band)= -1.771547 trlgG= -2.466273 logG= -0.687147 TDE= -4.586563 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102407 tlogG= -0.577424 logG= -0.679831 Density= 3.500480 ETOT(band)= -1.764337 trlgG= -2.457423 logG= -0.679831 TDE= -4.586435 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101930 tlogG= -0.581934 logG= -0.683864 Density= 3.499553 ETOT(band)= -1.768238 trlgG= -2.463573 logG= -0.683864 TDE= -4.587808 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101718 tlogG= -0.584305 logG= -0.686023 Density= 3.498991 ETOT(band)= -1.770326 trlgG= -2.467508 logG= -0.686023 TDE= -4.589132 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102114 tlogG= -0.580310 logG= -0.682424 Density= 3.499870 ETOT(band)= -1.766851 trlgG= -2.461721 logG= -0.682424 TDE= -4.587650 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101331 tlogG= -0.588131 logG= -0.689462 Density= 3.497989 ETOT(band)= -1.773828 trlgG= -2.472933 logG= -0.689462 TDE= -4.590314 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101727 tlogG= -0.582836 logG= -0.684563 Density= 3.499171 ETOT(band)= -1.769240 trlgG= -2.463648 logG= -0.684563 TDE= -4.586877 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102456 tlogG= -0.575543 logG= -0.677999 Density= 3.500563 ETOT(band)= -1.763043 trlgG= -2.454416 logG= -0.677999 TDE= -4.585326 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101649 tlogG= -0.582757 logG= -0.684405 Density= 3.498755 ETOT(band)= -1.769558 trlgG= -2.464531 logG= -0.684405 TDE= -4.587584 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101459 tlogG= -0.587097 logG= -0.688556 Density= 3.498386 ETOT(band)= -1.772739 trlgG= -2.470992 logG= -0.688556 TDE= -4.589598 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101517 tlogG= -0.585431 logG= -0.686948 Density= 3.498725 ETOT(band)= -1.771364 trlgG= -2.467023 logG= -0.686948 TDE= -4.587509 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101468 tlogG= -0.587556 logG= -0.689023 Density= 3.498275 ETOT(band)= -1.773147 trlgG= -2.472631 logG= -0.689023 TDE= -4.590680 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102500 tlogG= -0.577254 logG= -0.679753 Density= 3.500765 ETOT(band)= -1.763988 trlgG= -2.457064 logG= -0.679753 TDE= -4.586381 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101822 tlogG= -0.582401 logG= -0.684224 Density= 3.499329 ETOT(band)= -1.768774 trlgG= -2.463689 logG= -0.684224 TDE= -4.587384 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101764 tlogG= -0.582251 logG= -0.684015 Density= 3.498998 ETOT(band)= -1.768958 trlgG= -2.464394 logG= -0.684015 TDE= -4.588032 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101580 tlogG= -0.585139 logG= -0.686719 Density= 3.498779 ETOT(band)= -1.771094 trlgG= -2.467355 logG= -0.686719 TDE= -4.588113 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102688 tlogG= -0.574698 logG= -0.677386 Density= 3.501102 ETOT(band)= -1.761961 trlgG= -2.453119 logG= -0.677386 TDE= -4.585075 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101372 tlogG= -0.589684 logG= -0.691056 Density= 3.498003 ETOT(band)= -1.774788 trlgG= -2.475932 logG= -0.691056 TDE= -4.591730 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102314 tlogG= -0.577978 logG= -0.680293 Density= 3.500320 ETOT(band)= -1.764902 trlgG= -2.457797 logG= -0.680293 TDE= -4.586219 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1156.46497337219 eV TrLogG= -1610.73912242828 eV Ratio to renormalize= 1.000359517685 rho-rho_expected=-0.060377264310 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 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= 105 6) Finished k-point number 7 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 36) Finished k-point number 37 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 44) Finished k-point number 45 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 42) Finished k-point number 43 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= 0.834742147431890 0.831871834330547 0.835159168161308 0.831784568525569 0.835326165088624 0.831706694032226 0.834992935997012 0.831761698657499 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101167 tlogG= -0.592108 logG= -0.693275 Density= 3.497460 ETOT(band)= -1.776920 trlgG= -2.480006 logG= -0.693275 TDE= -4.593150 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101319 tlogG= -0.589794 logG= -0.691113 Density= 3.497806 ETOT(band)= -1.775058 trlgG= -2.476275 logG= -0.691113 TDE= -4.591858 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101372 tlogG= -0.587519 logG= -0.688891 Density= 3.498230 ETOT(band)= -1.773185 trlgG= -2.471035 logG= -0.688891 TDE= -4.589180 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102498 tlogG= -0.577255 logG= -0.679753 Density= 3.500760 ETOT(band)= -1.763984 trlgG= -2.457060 logG= -0.679753 TDE= -4.586374 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101592 tlogG= -0.584818 logG= -0.686410 Density= 3.498730 ETOT(band)= -1.770915 trlgG= -2.467641 logG= -0.686410 TDE= -4.588669 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101355 tlogG= -0.591404 logG= -0.692760 Density= 3.497861 ETOT(band)= -1.776050 trlgG= -2.479396 logG= -0.692760 TDE= -4.593378 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101807 tlogG= -0.581553 logG= -0.683359 Density= 3.499190 ETOT(band)= -1.768357 trlgG= -2.462659 logG= -0.683359 TDE= -4.587107 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102222 tlogG= -0.578159 logG= -0.680381 Density= 3.500037 ETOT(band)= -1.765263 trlgG= -2.458191 logG= -0.680381 TDE= -4.586297 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101225 tlogG= -0.587833 logG= -0.689058 Density= 3.497713 ETOT(band)= -1.773927 trlgG= -2.471894 logG= -0.689058 TDE= -4.589458 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101011 tlogG= -0.592774 logG= -0.693785 Density= 3.497167 ETOT(band)= -1.777703 trlgG= -2.480724 logG= -0.693785 TDE= -4.593123 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101329 tlogG= -0.587365 logG= -0.688695 Density= 3.497904 ETOT(band)= -1.773394 trlgG= -2.471832 logG= -0.688695 TDE= -4.589912 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101126 tlogG= -0.588244 logG= -0.689371 Density= 3.497571 ETOT(band)= -1.774366 trlgG= -2.471444 logG= -0.689371 TDE= -4.588581 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101497 tlogG= -0.585307 logG= -0.686804 Density= 3.498564 ETOT(band)= -1.771448 trlgG= -2.467481 logG= -0.686804 TDE= -4.587981 logGD-logG0= -0.101210 tlogG= -0.588671 logG= -0.689882 Density= 3.497768 ETOT(band)= -1.774430 trlgG= -2.472910 logG= -0.689882 TDE= -4.589695 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101028 tlogG= -0.590968 logG= -0.691996 Density= 3.497256 ETOT(band)= -1.776436 trlgG= -2.477059 logG= -0.691996 TDE= -4.591318 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101762 tlogG= -0.582252 logG= -0.684015 Density= 3.498993 ETOT(band)= -1.768955 trlgG= -2.464390 logG= -0.684015 TDE= -4.588024 logGD-logG0= -0.102686 tlogG= -0.574699 logG= -0.677385 Density= 3.501097 ETOT(band)= -1.761958 trlgG= -2.453115 logG= -0.677385 TDE= -4.585067 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101302 tlogG= -0.585876 logG= -0.687178 Density= 3.497981 ETOT(band)= -1.772394 trlgG= -2.468235 logG= -0.687178 TDE= -4.587893 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101549 tlogG= -0.583225 logG= -0.684774 Density= 3.498572 ETOT(band)= -1.770076 trlgG= -2.464455 logG= -0.684774 TDE= -4.586993 logGD-logG0= -0.101287 tlogG= -0.587890 logG= -0.689176 Density= 3.498129 ETOT(band)= -1.773547 trlgG= -2.470796 logG= -0.689176 TDE= -4.588575 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101096 tlogG= -0.590818 logG= -0.691915 Density= 3.497481 ETOT(band)= -1.776090 trlgG= -2.476792 logG= -0.691915 TDE= -4.591314 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101398 tlogG= -0.585527 logG= -0.686925 Density= 3.498219 ETOT(band)= -1.771940 trlgG= -2.467915 logG= -0.686925 TDE= -4.588018 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101237 tlogG= -0.586174 logG= -0.687411 Density= 3.497931 ETOT(band)= -1.772677 trlgG= -2.467193 logG= -0.687411 TDE= -4.586579 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101725 tlogG= -0.582837 logG= -0.684563 Density= 3.499166 ETOT(band)= -1.769236 trlgG= -2.463644 logG= -0.684563 TDE= -4.586870 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101168 tlogG= -0.590405 logG= -0.691573 Density= 3.497491 ETOT(band)= -1.775793 trlgG= -2.476716 logG= -0.691573 TDE= -4.591588 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101329 tlogG= -0.588133 logG= -0.689462 Density= 3.497984 ETOT(band)= -1.773824 trlgG= -2.472929 logG= -0.689462 TDE= -4.590307 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101378 tlogG= -0.585524 logG= -0.686903 Density= 3.498102 ETOT(band)= -1.772019 trlgG= -2.468473 logG= -0.686903 TDE= -4.588505 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102405 tlogG= -0.577426 logG= -0.679830 Density= 3.500476 ETOT(band)= -1.764334 trlgG= -2.457419 logG= -0.679830 TDE= -4.586428 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101716 tlogG= -0.584307 logG= -0.686023 Density= 3.498987 ETOT(band)= -1.770323 trlgG= -2.467504 logG= -0.686023 TDE= -4.589125 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101498 tlogG= -0.585021 logG= -0.686519 Density= 3.498406 ETOT(band)= -1.771372 trlgG= -2.468149 logG= -0.686519 TDE= -4.588808 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102046 tlogG= -0.578830 logG= -0.680876 Density= 3.499652 ETOT(band)= -1.766094 trlgG= -2.459043 logG= -0.680876 TDE= -4.586344 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101956 tlogG= -0.580960 logG= -0.682916 Density= 3.499498 ETOT(band)= -1.767649 trlgG= -2.462151 logG= -0.682916 TDE= -4.587290 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101470 tlogG= -0.585678 logG= -0.687147 Density= 3.498724 ETOT(band)= -1.771543 trlgG= -2.466269 logG= -0.687147 TDE= -4.586555 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102112 tlogG= -0.580311 logG= -0.682424 Density= 3.499866 ETOT(band)= -1.766847 trlgG= -2.461717 logG= -0.682424 TDE= -4.587643 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101515 tlogG= -0.585433 logG= -0.686948 Density= 3.498721 ETOT(band)= -1.771360 trlgG= -2.467019 logG= -0.686948 TDE= -4.587502 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101630 tlogG= -0.584484 logG= -0.686114 Density= 3.498680 ETOT(band)= -1.770736 trlgG= -2.467979 logG= -0.686114 TDE= -4.589263 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102925 tlogG= -0.573813 logG= -0.676738 Density= 3.501689 ETOT(band)= -1.760800 trlgG= -2.451992 logG= -0.676738 TDE= -4.585067 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102454 tlogG= -0.575544 logG= -0.677998 Density= 3.500558 ETOT(band)= -1.763039 trlgG= -2.454412 logG= -0.677998 TDE= -4.585319 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101647 tlogG= -0.582758 logG= -0.684405 Density= 3.498751 ETOT(band)= -1.769554 trlgG= -2.464527 logG= -0.684405 TDE= -4.587577 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101226 tlogG= -0.590276 logG= -0.691502 Density= 3.497701 ETOT(band)= -1.775483 trlgG= -2.476383 logG= -0.691502 TDE= -4.591493 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102313 tlogG= -0.577980 logG= -0.680293 Density= 3.500316 ETOT(band)= -1.764899 trlgG= -2.457794 logG= -0.680293 TDE= -4.586212 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101466 tlogG= -0.587557 logG= -0.689023 Density= 3.498270 ETOT(band)= -1.773144 trlgG= -2.472627 logG= -0.689023 TDE= -4.590673 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101929 tlogG= -0.581936 logG= -0.683864 Density= 3.499549 ETOT(band)= -1.768235 trlgG= -2.463569 logG= -0.683864 TDE= -4.587800 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101579 tlogG= -0.585140 logG= -0.686719 Density= 3.498774 ETOT(band)= -1.771091 trlgG= -2.467351 logG= -0.686719 TDE= -4.588106 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101457 tlogG= -0.587098 logG= -0.688555 Density= 3.498382 ETOT(band)= -1.772736 trlgG= -2.470988 logG= -0.688555 TDE= -4.589591 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101370 tlogG= -0.589686 logG= -0.691056 Density= 3.497999 ETOT(band)= -1.774785 trlgG= -2.475928 logG= -0.691056 TDE= -4.591724 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101820 tlogG= -0.582403 logG= -0.684223 Density= 3.499325 ETOT(band)= -1.768771 trlgG= -2.463685 logG= -0.684223 TDE= -4.587377 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102133 tlogG= -0.578640 logG= -0.680773 Density= 3.499924 ETOT(band)= -1.765714 trlgG= -2.458650 logG= -0.680773 TDE= -4.586273 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 Sum of eigenvalues= -1156.46278867676 eV TrLogG= -1610.73431755611 eV Ratio to renormalize= 1.000360780791 rho-rho_expected=-0.060589313359 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 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 34) Finished k-point number 35 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 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 47) Finished k-point number 48 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 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= 0.834742111903762 0.831871801532806 0.835159134439245 0.831784535381081 0.835326130158061 0.831706660978783 0.834992900780565 0.831761665430346 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101319 tlogG= -0.589794 logG= -0.691113 Density= 3.497806 ETOT(band)= -1.775058 trlgG= -2.476275 logG= -0.691113 TDE= -4.591859 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101287 tlogG= -0.587890 logG= -0.689177 Density= 3.498129 ETOT(band)= -1.773547 trlgG= -2.470797 logG= -0.689177 TDE= -4.588576 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101398 tlogG= -0.585528 logG= -0.686925 Density= 3.498219 ETOT(band)= -1.771940 trlgG= -2.467915 logG= -0.686925 TDE= -4.588018 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101592 tlogG= -0.584819 logG= -0.686411 Density= 3.498730 ETOT(band)= -1.770915 trlgG= -2.467641 logG= -0.686411 TDE= -4.588669 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101372 tlogG= -0.587519 logG= -0.688891 Density= 3.498230 ETOT(band)= -1.773186 trlgG= -2.471035 logG= -0.688891 TDE= -4.589181 logGD-logG0= -0.102222 tlogG= -0.578160 logG= -0.680382 Density= 3.500037 ETOT(band)= -1.765264 trlgG= -2.458191 logG= -0.680382 TDE= -4.586297 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101096 tlogG= -0.590819 logG= -0.691915 Density= 3.497482 ETOT(band)= -1.776090 trlgG= -2.476793 logG= -0.691915 TDE= -4.591314 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101470 tlogG= -0.585678 logG= -0.687148 Density= 3.498724 ETOT(band)= -1.771543 trlgG= -2.466269 logG= -0.687148 TDE= -4.586555 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101329 tlogG= -0.587366 logG= -0.688695 Density= 3.497904 ETOT(band)= -1.773395 trlgG= -2.471832 logG= -0.688695 TDE= -4.589913 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102405 tlogG= -0.577426 logG= -0.679831 Density= 3.500476 ETOT(band)= -1.764334 trlgG= -2.457420 logG= -0.679831 TDE= -4.586428 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101210 tlogG= -0.588672 logG= -0.689882 Density= 3.497769 ETOT(band)= -1.774430 trlgG= -2.472911 logG= -0.689882 TDE= -4.589696 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101237 tlogG= -0.586175 logG= -0.687411 Density= 3.497931 ETOT(band)= -1.772677 trlgG= -2.467193 logG= -0.687411 TDE= -4.586579 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102046 tlogG= -0.578830 logG= -0.680877 Density= 3.499652 ETOT(band)= -1.766094 trlgG= -2.459043 logG= -0.680877 TDE= -4.586344 logGD-logG0= -0.101378 tlogG= -0.585525 logG= -0.686903 Density= 3.498102 ETOT(band)= -1.772019 trlgG= -2.468474 logG= -0.686903 TDE= -4.588505 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101630 tlogG= -0.584484 logG= -0.686115 Density= 3.498680 ETOT(band)= -1.770736 trlgG= -2.467980 logG= -0.686115 TDE= -4.589263 logGD-logG0= -0.101355 tlogG= -0.591405 logG= -0.692760 Density= 3.497861 ETOT(band)= -1.776051 trlgG= -2.479397 logG= -0.692760 TDE= -4.593378 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101515 tlogG= -0.585433 logG= -0.686948 Density= 3.498721 ETOT(band)= -1.771361 trlgG= -2.467019 logG= -0.686948 TDE= -4.587502 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101167 tlogG= -0.592108 logG= -0.693275 Density= 3.497460 ETOT(band)= -1.776920 trlgG= -2.480007 logG= -0.693275 TDE= -4.593150 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101499 tlogG= -0.585021 logG= -0.686520 Density= 3.498406 ETOT(band)= -1.771372 trlgG= -2.468150 logG= -0.686520 TDE= -4.588808 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101549 tlogG= -0.583225 logG= -0.684774 Density= 3.498572 ETOT(band)= -1.770076 trlgG= -2.464455 logG= -0.684774 TDE= -4.586993 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101011 tlogG= -0.592774 logG= -0.693785 Density= 3.497167 ETOT(band)= -1.777703 trlgG= -2.480725 logG= -0.693785 TDE= -4.593123 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102686 tlogG= -0.574700 logG= -0.677386 Density= 3.501097 ETOT(band)= -1.761958 trlgG= -2.453116 logG= -0.677386 TDE= -4.585068 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102454 tlogG= -0.575545 logG= -0.677999 Density= 3.500558 ETOT(band)= -1.763040 trlgG= -2.454413 logG= -0.677999 TDE= -4.585319 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102925 tlogG= -0.573813 logG= -0.676739 Density= 3.501689 ETOT(band)= -1.760800 trlgG= -2.451993 logG= -0.676739 TDE= -4.585067 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101466 tlogG= -0.587558 logG= -0.689024 Density= 3.498270 ETOT(band)= -1.773144 trlgG= -2.472628 logG= -0.689024 TDE= -4.590673 logGD-logG0= -0.101028 tlogG= -0.590969 logG= -0.691997 Density= 3.497256 ETOT(band)= -1.776436 trlgG= -2.477059 logG= -0.691997 TDE= -4.591318 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101225 tlogG= -0.587834 logG= -0.689059 Density= 3.497713 ETOT(band)= -1.773927 trlgG= -2.471895 logG= -0.689059 TDE= -4.589459 logGD-logG0= -0.101226 tlogG= -0.590276 logG= -0.691503 Density= 3.497701 ETOT(band)= -1.775483 trlgG= -2.476383 logG= -0.691503 TDE= -4.591493 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101956 tlogG= -0.580960 logG= -0.682916 Density= 3.499499 ETOT(band)= -1.767649 trlgG= -2.462151 logG= -0.682916 TDE= -4.587290 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101716 tlogG= -0.584308 logG= -0.686023 Density= 3.498987 ETOT(band)= -1.770323 trlgG= -2.467505 logG= -0.686023 TDE= -4.589125 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101126 tlogG= -0.588245 logG= -0.689371 Density= 3.497571 ETOT(band)= -1.774366 trlgG= -2.471444 logG= -0.689371 TDE= -4.588581 logGD-logG0= -0.101370 tlogG= -0.589686 logG= -0.691057 Density= 3.497999 ETOT(band)= -1.774785 trlgG= -2.475929 logG= -0.691057 TDE= -4.591724 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101762 tlogG= -0.582253 logG= -0.684015 Density= 3.498993 ETOT(band)= -1.768955 trlgG= -2.464390 logG= -0.684015 TDE= -4.588025 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101302 tlogG= -0.585876 logG= -0.687179 Density= 3.497981 ETOT(band)= -1.772394 trlgG= -2.468235 logG= -0.687179 TDE= -4.587894 logGD-logG0= -0.101329 tlogG= -0.588133 logG= -0.689462 Density= 3.497984 ETOT(band)= -1.773825 trlgG= -2.472930 logG= -0.689462 TDE= -4.590307 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101168 tlogG= -0.590405 logG= -0.691573 Density= 3.497491 ETOT(band)= -1.775793 trlgG= -2.476717 logG= -0.691573 TDE= -4.591588 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101647 tlogG= -0.582759 logG= -0.684406 Density= 3.498751 ETOT(band)= -1.769554 trlgG= -2.464528 logG= -0.684406 TDE= -4.587577 logGD-logG0= -0.101497 tlogG= -0.585307 logG= -0.686804 Density= 3.498564 ETOT(band)= -1.771448 trlgG= -2.467481 logG= -0.686804 TDE= -4.587982 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101929 tlogG= -0.581936 logG= -0.683864 Density= 3.499549 ETOT(band)= -1.768235 trlgG= -2.463570 logG= -0.683864 TDE= -4.587801 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102112 tlogG= -0.580312 logG= -0.682424 Density= 3.499866 ETOT(band)= -1.766848 trlgG= -2.461718 logG= -0.682424 TDE= -4.587643 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101457 tlogG= -0.587099 logG= -0.688556 Density= 3.498382 ETOT(band)= -1.772736 trlgG= -2.470988 logG= -0.688556 TDE= -4.589591 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101807 tlogG= -0.581553 logG= -0.683360 Density= 3.499190 ETOT(band)= -1.768357 trlgG= -2.462660 logG= -0.683360 TDE= -4.587108 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102498 tlogG= -0.577256 logG= -0.679754 Density= 3.500761 ETOT(band)= -1.763984 trlgG= -2.457061 logG= -0.679754 TDE= -4.586375 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102313 tlogG= -0.577981 logG= -0.680293 Density= 3.500316 ETOT(band)= -1.764899 trlgG= -2.457794 logG= -0.680293 TDE= -4.586212 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102134 tlogG= -0.578640 logG= -0.680774 Density= 3.499924 ETOT(band)= -1.765714 trlgG= -2.458651 logG= -0.680774 TDE= -4.586273 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101725 tlogG= -0.582838 logG= -0.684563 Density= 3.499166 ETOT(band)= -1.769237 trlgG= -2.463645 logG= -0.684563 TDE= -4.586870 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101579 tlogG= -0.585141 logG= -0.686719 Density= 3.498774 ETOT(band)= -1.771091 trlgG= -2.467352 logG= -0.686719 TDE= -4.588106 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101820 tlogG= -0.582403 logG= -0.684224 Density= 3.499325 ETOT(band)= -1.768771 trlgG= -2.463686 logG= -0.684224 TDE= -4.587377 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.46291338870 eV TrLogG= -1610.73474627191 eV Ratio to renormalize= 1.000360757623 rho-rho_expected=-0.060585424071 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834742199900741 0.831871874673585 0.835159219414119 0.831784609351499 0.835326217073684 0.831706734526699 0.834992988181316 0.831761739070232 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101820 tlogG= -0.582403 logG= -0.684223 Density= 3.499325 ETOT(band)= -1.768771 trlgG= -2.463685 logG= -0.684223 TDE= -4.587377 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101287 tlogG= -0.587890 logG= -0.689176 Density= 3.498129 ETOT(band)= -1.773547 trlgG= -2.470796 logG= -0.689176 TDE= -4.588576 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101398 tlogG= -0.585527 logG= -0.686925 Density= 3.498219 ETOT(band)= -1.771940 trlgG= -2.467915 logG= -0.686925 TDE= -4.588018 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101011 tlogG= -0.592774 logG= -0.693785 Density= 3.497167 ETOT(band)= -1.777703 trlgG= -2.480724 logG= -0.693785 TDE= -4.593123 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101807 tlogG= -0.581553 logG= -0.683359 Density= 3.499190 ETOT(band)= -1.768357 trlgG= -2.462660 logG= -0.683359 TDE= -4.587107 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102454 tlogG= -0.575544 logG= -0.677998 Density= 3.500558 ETOT(band)= -1.763039 trlgG= -2.454412 logG= -0.677998 TDE= -4.585319 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101372 tlogG= -0.587519 logG= -0.688891 Density= 3.498230 ETOT(band)= -1.773186 trlgG= -2.471035 logG= -0.688891 TDE= -4.589181 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101126 tlogG= -0.588244 logG= -0.689371 Density= 3.497571 ETOT(band)= -1.774366 trlgG= -2.471444 logG= -0.689371 TDE= -4.588581 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101028 tlogG= -0.590968 logG= -0.691996 Density= 3.497256 ETOT(band)= -1.776436 trlgG= -2.477059 logG= -0.691996 TDE= -4.591318 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101210 tlogG= -0.588671 logG= -0.689882 Density= 3.497769 ETOT(band)= -1.774430 trlgG= -2.472910 logG= -0.689882 TDE= -4.589695 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101319 tlogG= -0.589794 logG= -0.691113 Density= 3.497806 ETOT(band)= -1.775058 trlgG= -2.476275 logG= -0.691113 TDE= -4.591858 logGD-logG0= -0.102046 tlogG= -0.578830 logG= -0.680876 Density= 3.499652 ETOT(band)= -1.766094 trlgG= -2.459043 logG= -0.680876 TDE= -4.586344 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101956 tlogG= -0.580960 logG= -0.682916 Density= 3.499498 ETOT(band)= -1.767649 trlgG= -2.462151 logG= -0.682916 TDE= -4.587290 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101355 tlogG= -0.591404 logG= -0.692760 Density= 3.497861 ETOT(band)= -1.776050 trlgG= -2.479396 logG= -0.692760 TDE= -4.593378 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101096 tlogG= -0.590818 logG= -0.691915 Density= 3.497482 ETOT(band)= -1.776090 trlgG= -2.476792 logG= -0.691915 TDE= -4.591314 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101237 tlogG= -0.586174 logG= -0.687411 Density= 3.497931 ETOT(band)= -1.772677 trlgG= -2.467193 logG= -0.687411 TDE= -4.586579 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101329 tlogG= -0.587365 logG= -0.688695 Density= 3.497904 ETOT(band)= -1.773394 trlgG= -2.471832 logG= -0.688695 TDE= -4.589912 logGD-logG0= -0.101378 tlogG= -0.585524 logG= -0.686903 Density= 3.498102 ETOT(band)= -1.772019 trlgG= -2.468473 logG= -0.686903 TDE= -4.588505 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101549 tlogG= -0.583225 logG= -0.684774 Density= 3.498572 ETOT(band)= -1.770076 trlgG= -2.464455 logG= -0.684774 TDE= -4.586993 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102925 tlogG= -0.573813 logG= -0.676738 Density= 3.501689 ETOT(band)= -1.760800 trlgG= -2.451992 logG= -0.676738 TDE= -4.585067 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102313 tlogG= -0.577980 logG= -0.680293 Density= 3.500316 ETOT(band)= -1.764899 trlgG= -2.457794 logG= -0.680293 TDE= -4.586212 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101466 tlogG= -0.587557 logG= -0.689023 Density= 3.498270 ETOT(band)= -1.773144 trlgG= -2.472627 logG= -0.689023 TDE= -4.590673 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101647 tlogG= -0.582758 logG= -0.684405 Density= 3.498751 ETOT(band)= -1.769554 trlgG= -2.464527 logG= -0.684405 TDE= -4.587577 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102222 tlogG= -0.578159 logG= -0.680381 Density= 3.500037 ETOT(band)= -1.765263 trlgG= -2.458191 logG= -0.680381 TDE= -4.586297 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101929 tlogG= -0.581936 logG= -0.683864 Density= 3.499549 ETOT(band)= -1.768235 trlgG= -2.463569 logG= -0.683864 TDE= -4.587800 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101497 tlogG= -0.585307 logG= -0.686804 Density= 3.498564 ETOT(band)= -1.771448 trlgG= -2.467481 logG= -0.686804 TDE= -4.587982 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102112 tlogG= -0.580311 logG= -0.682424 Density= 3.499866 ETOT(band)= -1.766847 trlgG= -2.461717 logG= -0.682424 TDE= -4.587643 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101592 tlogG= -0.584818 logG= -0.686410 Density= 3.498730 ETOT(band)= -1.770915 trlgG= -2.467641 logG= -0.686410 TDE= -4.588669 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101498 tlogG= -0.585021 logG= -0.686519 Density= 3.498406 ETOT(band)= -1.771372 trlgG= -2.468149 logG= -0.686519 TDE= -4.588808 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102134 tlogG= -0.578640 logG= -0.680773 Density= 3.499924 ETOT(band)= -1.765714 trlgG= -2.458650 logG= -0.680773 TDE= -4.586273 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102686 tlogG= -0.574699 logG= -0.677385 Density= 3.501097 ETOT(band)= -1.761958 trlgG= -2.453115 logG= -0.677385 TDE= -4.585068 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101168 tlogG= -0.590405 logG= -0.691573 Density= 3.497491 ETOT(band)= -1.775793 trlgG= -2.476716 logG= -0.691573 TDE= -4.591588 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102405 tlogG= -0.577426 logG= -0.679830 Density= 3.500476 ETOT(band)= -1.764334 trlgG= -2.457419 logG= -0.679830 TDE= -4.586428 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101329 tlogG= -0.588133 logG= -0.689462 Density= 3.497984 ETOT(band)= -1.773824 trlgG= -2.472929 logG= -0.689462 TDE= -4.590307 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101762 tlogG= -0.582252 logG= -0.684015 Density= 3.498993 ETOT(band)= -1.768955 trlgG= -2.464390 logG= -0.684015 TDE= -4.588024 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101470 tlogG= -0.585678 logG= -0.687147 Density= 3.498724 ETOT(band)= -1.771543 trlgG= -2.466269 logG= -0.687147 TDE= -4.586555 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101725 tlogG= -0.582837 logG= -0.684563 Density= 3.499166 ETOT(band)= -1.769236 trlgG= -2.463644 logG= -0.684563 TDE= -4.586870 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102498 tlogG= -0.577255 logG= -0.679753 Density= 3.500761 ETOT(band)= -1.763984 trlgG= -2.457060 logG= -0.679753 TDE= -4.586374 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101226 tlogG= -0.590276 logG= -0.691502 Density= 3.497701 ETOT(band)= -1.775483 trlgG= -2.476383 logG= -0.691502 TDE= -4.591493 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101225 tlogG= -0.587833 logG= -0.689058 Density= 3.497713 ETOT(band)= -1.773927 trlgG= -2.471894 logG= -0.689058 TDE= -4.589458 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101167 tlogG= -0.592108 logG= -0.693275 Density= 3.497460 ETOT(band)= -1.776920 trlgG= -2.480006 logG= -0.693275 TDE= -4.593150 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101579 tlogG= -0.585140 logG= -0.686719 Density= 3.498774 ETOT(band)= -1.771091 trlgG= -2.467351 logG= -0.686719 TDE= -4.588106 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101302 tlogG= -0.585876 logG= -0.687178 Density= 3.497981 ETOT(band)= -1.772394 trlgG= -2.468235 logG= -0.687178 TDE= -4.587893 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101457 tlogG= -0.587098 logG= -0.688555 Density= 3.498382 ETOT(band)= -1.772736 trlgG= -2.470988 logG= -0.688555 TDE= -4.589591 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101515 tlogG= -0.585433 logG= -0.686948 Density= 3.498721 ETOT(band)= -1.771360 trlgG= -2.467019 logG= -0.686948 TDE= -4.587502 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101716 tlogG= -0.584307 logG= -0.686023 Density= 3.498987 ETOT(band)= -1.770323 trlgG= -2.467504 logG= -0.686023 TDE= -4.589125 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101370 tlogG= -0.589686 logG= -0.691056 Density= 3.497999 ETOT(band)= -1.774785 trlgG= -2.475929 logG= -0.691056 TDE= -4.591724 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101630 tlogG= -0.584484 logG= -0.686114 Density= 3.498680 ETOT(band)= -1.770736 trlgG= -2.467979 logG= -0.686114 TDE= -4.589263 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Sum of eigenvalues= -1156.46281891281 eV TrLogG= -1610.73435272955 eV Ratio to renormalize= 1.000360771228 rho-rho_expected=-0.060587708058 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 33) Finished k-point number 34 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 22) Finished k-point number 23 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834741142596075 0.831870888298923 0.835158171505905 0.831783617785776 0.835325167709025 0.831705744417790 0.834991933420569 0.831760751164422 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101318 tlogG= -0.589794 logG= -0.691112 Density= 3.497804 ETOT(band)= -1.775056 trlgG= -2.476273 logG= -0.691112 TDE= -4.591856 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101806 tlogG= -0.581553 logG= -0.683359 Density= 3.499189 ETOT(band)= -1.768356 trlgG= -2.462657 logG= -0.683359 TDE= -4.587104 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101096 tlogG= -0.590818 logG= -0.691914 Density= 3.497480 ETOT(band)= -1.776089 trlgG= -2.476790 logG= -0.691914 TDE= -4.591311 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.102046 tlogG= -0.578830 logG= -0.680876 Density= 3.499650 ETOT(band)= -1.766092 trlgG= -2.459040 logG= -0.680876 TDE= -4.586341 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101956 tlogG= -0.580960 logG= -0.682915 Density= 3.499497 ETOT(band)= -1.767647 trlgG= -2.462149 logG= -0.682915 TDE= -4.587287 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101167 tlogG= -0.590405 logG= -0.691572 Density= 3.497490 ETOT(band)= -1.775791 trlgG= -2.476714 logG= -0.691572 TDE= -4.591585 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101236 tlogG= -0.586174 logG= -0.687410 Density= 3.497930 ETOT(band)= -1.772676 trlgG= -2.467190 logG= -0.687410 TDE= -4.586576 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102221 tlogG= -0.578159 logG= -0.680381 Density= 3.500036 ETOT(band)= -1.765262 trlgG= -2.458189 logG= -0.680381 TDE= -4.586294 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101126 tlogG= -0.588244 logG= -0.689370 Density= 3.497569 ETOT(band)= -1.774365 trlgG= -2.471441 logG= -0.689370 TDE= -4.588578 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101286 tlogG= -0.587890 logG= -0.689176 Density= 3.498127 ETOT(band)= -1.773546 trlgG= -2.470794 logG= -0.689176 TDE= -4.588573 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101011 tlogG= -0.592774 logG= -0.693784 Density= 3.497165 ETOT(band)= -1.777701 trlgG= -2.480722 logG= -0.693784 TDE= -4.593120 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101591 tlogG= -0.584818 logG= -0.686410 Density= 3.498729 ETOT(band)= -1.770914 trlgG= -2.467639 logG= -0.686410 TDE= -4.588666 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101355 tlogG= -0.591404 logG= -0.692759 Density= 3.497860 ETOT(band)= -1.776049 trlgG= -2.479395 logG= -0.692759 TDE= -4.593376 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.102497 tlogG= -0.577255 logG= -0.679753 Density= 3.500759 ETOT(band)= -1.763983 trlgG= -2.457058 logG= -0.679753 TDE= -4.586372 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101370 tlogG= -0.589686 logG= -0.691056 Density= 3.497998 ETOT(band)= -1.774783 trlgG= -2.475927 logG= -0.691056 TDE= -4.591721 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101378 tlogG= -0.585524 logG= -0.686902 Density= 3.498101 ETOT(band)= -1.772017 trlgG= -2.468471 logG= -0.686902 TDE= -4.588502 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101630 tlogG= -0.584484 logG= -0.686114 Density= 3.498678 ETOT(band)= -1.770734 trlgG= -2.467977 logG= -0.686114 TDE= -4.589260 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101457 tlogG= -0.587098 logG= -0.688555 Density= 3.498380 ETOT(band)= -1.772735 trlgG= -2.470986 logG= -0.688555 TDE= -4.589588 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102133 tlogG= -0.578640 logG= -0.680773 Density= 3.499923 ETOT(band)= -1.765713 trlgG= -2.458648 logG= -0.680773 TDE= -4.586270 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101469 tlogG= -0.585677 logG= -0.687147 Density= 3.498723 ETOT(band)= -1.771542 trlgG= -2.466267 logG= -0.687147 TDE= -4.586552 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102686 tlogG= -0.574699 logG= -0.677385 Density= 3.501096 ETOT(band)= -1.761956 trlgG= -2.453113 logG= -0.677385 TDE= -4.585065 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101715 tlogG= -0.584307 logG= -0.686022 Density= 3.498985 ETOT(band)= -1.770321 trlgG= -2.467502 logG= -0.686022 TDE= -4.589122 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101497 tlogG= -0.585307 logG= -0.686803 Density= 3.498563 ETOT(band)= -1.771447 trlgG= -2.467478 logG= -0.686803 TDE= -4.587979 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101820 tlogG= -0.582403 logG= -0.684223 Density= 3.499324 ETOT(band)= -1.768769 trlgG= -2.463683 logG= -0.684223 TDE= -4.587374 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101329 tlogG= -0.587365 logG= -0.688694 Density= 3.497903 ETOT(band)= -1.773393 trlgG= -2.471830 logG= -0.688694 TDE= -4.589910 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101372 tlogG= -0.587519 logG= -0.688890 Density= 3.498228 ETOT(band)= -1.773184 trlgG= -2.471032 logG= -0.688890 TDE= -4.589178 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101397 tlogG= -0.585527 logG= -0.686924 Density= 3.498217 ETOT(band)= -1.771938 trlgG= -2.467912 logG= -0.686924 TDE= -4.588015 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101515 tlogG= -0.585433 logG= -0.686947 Density= 3.498719 ETOT(band)= -1.771359 trlgG= -2.467016 logG= -0.686947 TDE= -4.587499 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101226 tlogG= -0.590276 logG= -0.691501 Density= 3.497699 ETOT(band)= -1.775481 trlgG= -2.476381 logG= -0.691501 TDE= -4.591491 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101498 tlogG= -0.585021 logG= -0.686519 Density= 3.498404 ETOT(band)= -1.771371 trlgG= -2.468147 logG= -0.686519 TDE= -4.588805 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101210 tlogG= -0.588671 logG= -0.689881 Density= 3.497767 ETOT(band)= -1.774428 trlgG= -2.472908 logG= -0.689881 TDE= -4.589693 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101548 tlogG= -0.583225 logG= -0.684773 Density= 3.498571 ETOT(band)= -1.770075 trlgG= -2.464452 logG= -0.684773 TDE= -4.586990 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101028 tlogG= -0.590968 logG= -0.691996 Density= 3.497255 ETOT(band)= -1.776435 trlgG= -2.477057 logG= -0.691996 TDE= -4.591315 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101465 tlogG= -0.587557 logG= -0.689023 Density= 3.498269 ETOT(band)= -1.773142 trlgG= -2.472625 logG= -0.689023 TDE= -4.590671 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101725 tlogG= -0.582837 logG= -0.684562 Density= 3.499165 ETOT(band)= -1.769235 trlgG= -2.463642 logG= -0.684562 TDE= -4.586867 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101167 tlogG= -0.592108 logG= -0.693274 Density= 3.497458 ETOT(band)= -1.776918 trlgG= -2.480004 logG= -0.693274 TDE= -4.593148 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101578 tlogG= -0.585140 logG= -0.686718 Density= 3.498773 ETOT(band)= -1.771090 trlgG= -2.467349 logG= -0.686718 TDE= -4.588103 logGD-logG0= -0.101302 tlogG= -0.585876 logG= -0.687177 Density= 3.497979 ETOT(band)= -1.772392 trlgG= -2.468232 logG= -0.687177 TDE= -4.587891 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102453 tlogG= -0.575544 logG= -0.677998 Density= 3.500557 ETOT(band)= -1.763038 trlgG= -2.454410 logG= -0.677998 TDE= -4.585316 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101224 tlogG= -0.587833 logG= -0.689058 Density= 3.497712 ETOT(band)= -1.773925 trlgG= -2.471892 logG= -0.689058 TDE= -4.589456 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101329 tlogG= -0.588133 logG= -0.689461 Density= 3.497983 ETOT(band)= -1.773823 trlgG= -2.472927 logG= -0.689461 TDE= -4.590304 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102112 tlogG= -0.580311 logG= -0.682423 Density= 3.499864 ETOT(band)= -1.766846 trlgG= -2.461715 logG= -0.682423 TDE= -4.587640 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101762 tlogG= -0.582252 logG= -0.684014 Density= 3.498992 ETOT(band)= -1.768954 trlgG= -2.464388 logG= -0.684014 TDE= -4.588022 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102312 tlogG= -0.577980 logG= -0.680292 Density= 3.500315 ETOT(band)= -1.764898 trlgG= -2.457791 logG= -0.680292 TDE= -4.586209 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101646 tlogG= -0.582758 logG= -0.684405 Density= 3.498750 ETOT(band)= -1.769553 trlgG= -2.464525 logG= -0.684405 TDE= -4.587574 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101928 tlogG= -0.581935 logG= -0.683863 Density= 3.499548 ETOT(band)= -1.768233 trlgG= -2.463567 logG= -0.683863 TDE= -4.587798 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102924 tlogG= -0.573813 logG= -0.676738 Density= 3.501688 ETOT(band)= -1.760799 trlgG= -2.451990 logG= -0.676738 TDE= -4.585065 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102404 tlogG= -0.577426 logG= -0.679830 Density= 3.500474 ETOT(band)= -1.764333 trlgG= -2.457417 logG= -0.679830 TDE= -4.586425 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 Sum of eigenvalues= -1156.46184508803 eV TrLogG= -1610.73217237266 eV Ratio to renormalize= 1.000361169760 rho-rho_expected=-0.060654613080 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 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 13) Finished k-point number 14 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834741439880359 0.831871164557760 0.835158466270988 0.831783895610863 0.835325462953645 0.831706021749624 0.834992230152631 0.831761027858787 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101167 tlogG= -0.590405 logG= -0.691572 Density= 3.497490 ETOT(band)= -1.775792 trlgG= -2.476715 logG= -0.691572 TDE= -4.591586 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101515 tlogG= -0.585433 logG= -0.686947 Density= 3.498720 ETOT(band)= -1.771359 trlgG= -2.467017 logG= -0.686947 TDE= -4.587500 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101329 tlogG= -0.587366 logG= -0.688694 Density= 3.497903 ETOT(band)= -1.773393 trlgG= -2.471830 logG= -0.688694 TDE= -4.589911 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101096 tlogG= -0.590818 logG= -0.691914 Density= 3.497481 ETOT(band)= -1.776089 trlgG= -2.476791 logG= -0.691914 TDE= -4.591312 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.102046 tlogG= -0.578830 logG= -0.680876 Density= 3.499651 ETOT(band)= -1.766093 trlgG= -2.459041 logG= -0.680876 TDE= -4.586342 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101592 tlogG= -0.584818 logG= -0.686410 Density= 3.498729 ETOT(band)= -1.770914 trlgG= -2.467639 logG= -0.686410 TDE= -4.588667 logGD-logG0= -0.102222 tlogG= -0.578159 logG= -0.680381 Density= 3.500036 ETOT(band)= -1.765262 trlgG= -2.458189 logG= -0.680381 TDE= -4.586295 logGD-logG0= -0.101372 tlogG= -0.587519 logG= -0.688891 Density= 3.498229 ETOT(band)= -1.773184 trlgG= -2.471033 logG= -0.688891 TDE= -4.589179 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101286 tlogG= -0.587890 logG= -0.689176 Density= 3.498128 ETOT(band)= -1.773546 trlgG= -2.470795 logG= -0.689176 TDE= -4.588574 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101011 tlogG= -0.592774 logG= -0.693784 Density= 3.497166 ETOT(band)= -1.777702 trlgG= -2.480723 logG= -0.693784 TDE= -4.593121 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101378 tlogG= -0.585524 logG= -0.686902 Density= 3.498101 ETOT(band)= -1.772018 trlgG= -2.468472 logG= -0.686902 TDE= -4.588503 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101319 tlogG= -0.589794 logG= -0.691112 Density= 3.497805 ETOT(band)= -1.775057 trlgG= -2.476273 logG= -0.691112 TDE= -4.591857 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101630 tlogG= -0.584484 logG= -0.686114 Density= 3.498679 ETOT(band)= -1.770735 trlgG= -2.467978 logG= -0.686114 TDE= -4.589261 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101397 tlogG= -0.585527 logG= -0.686924 Density= 3.498218 ETOT(band)= -1.771939 trlgG= -2.467913 logG= -0.686924 TDE= -4.588016 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101956 tlogG= -0.580960 logG= -0.682916 Density= 3.499498 ETOT(band)= -1.767648 trlgG= -2.462149 logG= -0.682916 TDE= -4.587288 logGD-logG0= -0.101370 tlogG= -0.589686 logG= -0.691056 Density= 3.497998 ETOT(band)= -1.774784 trlgG= -2.475927 logG= -0.691056 TDE= -4.591722 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101236 tlogG= -0.586174 logG= -0.687411 Density= 3.497930 ETOT(band)= -1.772676 trlgG= -2.467191 logG= -0.687411 TDE= -4.586577 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101355 tlogG= -0.591404 logG= -0.692759 Density= 3.497860 ETOT(band)= -1.776050 trlgG= -2.479395 logG= -0.692759 TDE= -4.593376 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.102133 tlogG= -0.578640 logG= -0.680773 Density= 3.499923 ETOT(band)= -1.765713 trlgG= -2.458648 logG= -0.680773 TDE= -4.586271 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101167 tlogG= -0.592108 logG= -0.693275 Density= 3.497459 ETOT(band)= -1.776919 trlgG= -2.480005 logG= -0.693275 TDE= -4.593148 logGD-logG0= -0.101469 tlogG= -0.585678 logG= -0.687147 Density= 3.498723 ETOT(band)= -1.771542 trlgG= -2.466267 logG= -0.687147 TDE= -4.586553 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101806 tlogG= -0.581553 logG= -0.683359 Density= 3.499189 ETOT(band)= -1.768356 trlgG= -2.462658 logG= -0.683359 TDE= -4.587105 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102404 tlogG= -0.577426 logG= -0.679830 Density= 3.500475 ETOT(band)= -1.764333 trlgG= -2.457418 logG= -0.679830 TDE= -4.586426 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102925 tlogG= -0.573813 logG= -0.676738 Density= 3.501688 ETOT(band)= -1.760799 trlgG= -2.451991 logG= -0.676738 TDE= -4.585065 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102686 tlogG= -0.574699 logG= -0.677385 Density= 3.501096 ETOT(band)= -1.761957 trlgG= -2.453114 logG= -0.677385 TDE= -4.585066 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101548 tlogG= -0.583225 logG= -0.684773 Density= 3.498571 ETOT(band)= -1.770075 trlgG= -2.464453 logG= -0.684773 TDE= -4.586991 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101329 tlogG= -0.588133 logG= -0.689462 Density= 3.497983 ETOT(band)= -1.773823 trlgG= -2.472928 logG= -0.689462 TDE= -4.590305 logGD-logG0= -0.101302 tlogG= -0.585876 logG= -0.687178 Density= 3.497980 ETOT(band)= -1.772393 trlgG= -2.468233 logG= -0.687178 TDE= -4.587892 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101126 tlogG= -0.588244 logG= -0.689370 Density= 3.497570 ETOT(band)= -1.774365 trlgG= -2.471442 logG= -0.689370 TDE= -4.588579 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101497 tlogG= -0.585307 logG= -0.686804 Density= 3.498563 ETOT(band)= -1.771447 trlgG= -2.467479 logG= -0.686804 TDE= -4.587980 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101716 tlogG= -0.584307 logG= -0.686023 Density= 3.498986 ETOT(band)= -1.770322 trlgG= -2.467503 logG= -0.686023 TDE= -4.589123 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101820 tlogG= -0.582403 logG= -0.684223 Density= 3.499324 ETOT(band)= -1.768770 trlgG= -2.463683 logG= -0.684223 TDE= -4.587375 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101225 tlogG= -0.587833 logG= -0.689058 Density= 3.497712 ETOT(band)= -1.773926 trlgG= -2.471893 logG= -0.689058 TDE= -4.589457 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102454 tlogG= -0.575544 logG= -0.677998 Density= 3.500557 ETOT(band)= -1.763038 trlgG= -2.454410 logG= -0.677998 TDE= -4.585317 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101725 tlogG= -0.582837 logG= -0.684562 Density= 3.499165 ETOT(band)= -1.769235 trlgG= -2.463643 logG= -0.684562 TDE= -4.586868 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101928 tlogG= -0.581936 logG= -0.683864 Density= 3.499548 ETOT(band)= -1.768234 trlgG= -2.463568 logG= -0.683864 TDE= -4.587799 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101498 tlogG= -0.585021 logG= -0.686519 Density= 3.498405 ETOT(band)= -1.771371 trlgG= -2.468148 logG= -0.686519 TDE= -4.588806 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101210 tlogG= -0.588671 logG= -0.689881 Density= 3.497768 ETOT(band)= -1.774429 trlgG= -2.472909 logG= -0.689881 TDE= -4.589693 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101465 tlogG= -0.587558 logG= -0.689023 Density= 3.498269 ETOT(band)= -1.773143 trlgG= -2.472626 logG= -0.689023 TDE= -4.590671 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101762 tlogG= -0.582252 logG= -0.684014 Density= 3.498992 ETOT(band)= -1.768954 trlgG= -2.464388 logG= -0.684014 TDE= -4.588022 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101028 tlogG= -0.590968 logG= -0.691996 Density= 3.497255 ETOT(band)= -1.776435 trlgG= -2.477057 logG= -0.691996 TDE= -4.591316 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102112 tlogG= -0.580311 logG= -0.682423 Density= 3.499865 ETOT(band)= -1.766846 trlgG= -2.461715 logG= -0.682423 TDE= -4.587641 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102498 tlogG= -0.577255 logG= -0.679753 Density= 3.500760 ETOT(band)= -1.763983 trlgG= -2.457059 logG= -0.679753 TDE= -4.586373 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101457 tlogG= -0.587098 logG= -0.688555 Density= 3.498381 ETOT(band)= -1.772735 trlgG= -2.470986 logG= -0.688555 TDE= -4.589589 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101647 tlogG= -0.582758 logG= -0.684405 Density= 3.498750 ETOT(band)= -1.769553 trlgG= -2.464526 logG= -0.684405 TDE= -4.587575 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102312 tlogG= -0.577980 logG= -0.680292 Density= 3.500315 ETOT(band)= -1.764898 trlgG= -2.457792 logG= -0.680292 TDE= -4.586210 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101226 tlogG= -0.590276 logG= -0.691502 Density= 3.497700 ETOT(band)= -1.775482 trlgG= -2.476382 logG= -0.691502 TDE= -4.591491 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101578 tlogG= -0.585140 logG= -0.686719 Density= 3.498773 ETOT(band)= -1.771090 trlgG= -2.467349 logG= -0.686719 TDE= -4.588104 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 Sum of eigenvalues= -1156.46214390374 eV TrLogG= -1610.73288532045 eV Ratio to renormalize= 1.000361047713 rho-rho_expected=-0.060634123893 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834742659742459 0.831872331974846 0.835159678058483 0.831785068500697 0.835326674511672 0.831707193660496 0.834993447882446 0.831762197192112 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101029 tlogG= -0.590969 logG= -0.691997 Density= 3.497257 ETOT(band)= -1.776437 trlgG= -2.477061 logG= -0.691997 TDE= -4.591320 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101211 tlogG= -0.588672 logG= -0.689882 Density= 3.497769 ETOT(band)= -1.774431 trlgG= -2.472912 logG= -0.689882 TDE= -4.589697 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101237 tlogG= -0.586175 logG= -0.687412 Density= 3.497932 ETOT(band)= -1.772678 trlgG= -2.467195 logG= -0.687412 TDE= -4.586581 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101287 tlogG= -0.587890 logG= -0.689177 Density= 3.498130 ETOT(band)= -1.773548 trlgG= -2.470798 logG= -0.689177 TDE= -4.588577 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102498 tlogG= -0.577256 logG= -0.679754 Density= 3.500761 ETOT(band)= -1.763985 trlgG= -2.457062 logG= -0.679754 TDE= -4.586376 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101373 tlogG= -0.587519 logG= -0.688892 Density= 3.498231 ETOT(band)= -1.773187 trlgG= -2.471036 logG= -0.688892 TDE= -4.589182 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102113 tlogG= -0.580312 logG= -0.682424 Density= 3.499866 ETOT(band)= -1.766849 trlgG= -2.461719 logG= -0.682424 TDE= -4.587645 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101097 tlogG= -0.590819 logG= -0.691915 Density= 3.497482 ETOT(band)= -1.776091 trlgG= -2.476794 logG= -0.691915 TDE= -4.591316 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101225 tlogG= -0.587834 logG= -0.689059 Density= 3.497714 ETOT(band)= -1.773928 trlgG= -2.471896 logG= -0.689059 TDE= -4.589460 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101807 tlogG= -0.581553 logG= -0.683360 Density= 3.499191 ETOT(band)= -1.768358 trlgG= -2.462661 logG= -0.683360 TDE= -4.587109 logGD-logG0= -0.101549 tlogG= -0.583225 logG= -0.684774 Density= 3.498573 ETOT(band)= -1.770077 trlgG= -2.464457 logG= -0.684774 TDE= -4.586995 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102222 tlogG= -0.578160 logG= -0.680382 Density= 3.500038 ETOT(band)= -1.765265 trlgG= -2.458193 logG= -0.680382 TDE= -4.586298 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101012 tlogG= -0.592774 logG= -0.693786 Density= 3.497168 ETOT(band)= -1.777704 trlgG= -2.480726 logG= -0.693786 TDE= -4.593125 logGD-logG0= -0.101319 tlogG= -0.589794 logG= -0.691114 Density= 3.497807 ETOT(band)= -1.775059 trlgG= -2.476276 logG= -0.691114 TDE= -4.591860 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101929 tlogG= -0.581936 logG= -0.683865 Density= 3.499550 ETOT(band)= -1.768236 trlgG= -2.463571 logG= -0.683865 TDE= -4.587802 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101592 tlogG= -0.584819 logG= -0.686411 Density= 3.498731 ETOT(band)= -1.770916 trlgG= -2.467643 logG= -0.686411 TDE= -4.588671 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101371 tlogG= -0.589686 logG= -0.691057 Density= 3.498000 ETOT(band)= -1.774786 trlgG= -2.475930 logG= -0.691057 TDE= -4.591726 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101398 tlogG= -0.585528 logG= -0.686926 Density= 3.498220 ETOT(band)= -1.771941 trlgG= -2.467917 logG= -0.686926 TDE= -4.588020 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101356 tlogG= -0.591405 logG= -0.692760 Density= 3.497862 ETOT(band)= -1.776052 trlgG= -2.479398 logG= -0.692760 TDE= -4.593380 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.102454 tlogG= -0.575545 logG= -0.677999 Density= 3.500559 ETOT(band)= -1.763040 trlgG= -2.454414 logG= -0.677999 TDE= -4.585321 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101956 tlogG= -0.580960 logG= -0.682917 Density= 3.499499 ETOT(band)= -1.767650 trlgG= -2.462153 logG= -0.682917 TDE= -4.587291 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101470 tlogG= -0.585678 logG= -0.687148 Density= 3.498725 ETOT(band)= -1.771544 trlgG= -2.466271 logG= -0.687148 TDE= -4.586557 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102047 tlogG= -0.578830 logG= -0.680877 Density= 3.499653 ETOT(band)= -1.766095 trlgG= -2.459045 logG= -0.680877 TDE= -4.586346 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102925 tlogG= -0.573813 logG= -0.676739 Density= 3.501690 ETOT(band)= -1.760801 trlgG= -2.451994 logG= -0.676739 TDE= -4.585069 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102405 tlogG= -0.577426 logG= -0.679831 Density= 3.500477 ETOT(band)= -1.764335 trlgG= -2.457421 logG= -0.679831 TDE= -4.586430 logGD-logG0= -0.101499 tlogG= -0.585021 logG= -0.686520 Density= 3.498406 ETOT(band)= -1.771373 trlgG= -2.468151 logG= -0.686520 TDE= -4.588810 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101379 tlogG= -0.585525 logG= -0.686903 Density= 3.498103 ETOT(band)= -1.772020 trlgG= -2.468475 logG= -0.686903 TDE= -4.588507 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101168 tlogG= -0.592108 logG= -0.693276 Density= 3.497460 ETOT(band)= -1.776921 trlgG= -2.480008 logG= -0.693276 TDE= -4.593152 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101498 tlogG= -0.585307 logG= -0.686805 Density= 3.498565 ETOT(band)= -1.771449 trlgG= -2.467483 logG= -0.686805 TDE= -4.587983 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101466 tlogG= -0.587558 logG= -0.689024 Density= 3.498271 ETOT(band)= -1.773145 trlgG= -2.472629 logG= -0.689024 TDE= -4.590675 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101763 tlogG= -0.582253 logG= -0.684016 Density= 3.498994 ETOT(band)= -1.768956 trlgG= -2.464392 logG= -0.684016 TDE= -4.588026 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102313 tlogG= -0.577980 logG= -0.680293 Density= 3.500317 ETOT(band)= -1.764900 trlgG= -2.457795 logG= -0.680293 TDE= -4.586214 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101330 tlogG= -0.587366 logG= -0.688695 Density= 3.497905 ETOT(band)= -1.773395 trlgG= -2.471834 logG= -0.688695 TDE= -4.589914 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101515 tlogG= -0.585433 logG= -0.686949 Density= 3.498722 ETOT(band)= -1.771361 trlgG= -2.467021 logG= -0.686949 TDE= -4.587504 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101168 tlogG= -0.590405 logG= -0.691573 Density= 3.497492 ETOT(band)= -1.775794 trlgG= -2.476718 logG= -0.691573 TDE= -4.591589 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101579 tlogG= -0.585141 logG= -0.686720 Density= 3.498775 ETOT(band)= -1.771092 trlgG= -2.467353 logG= -0.686720 TDE= -4.588108 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101647 tlogG= -0.582759 logG= -0.684406 Density= 3.498752 ETOT(band)= -1.769555 trlgG= -2.464529 logG= -0.684406 TDE= -4.587579 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101716 tlogG= -0.584307 logG= -0.686024 Density= 3.498987 ETOT(band)= -1.770324 trlgG= -2.467506 logG= -0.686024 TDE= -4.589127 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101330 tlogG= -0.588133 logG= -0.689463 Density= 3.497985 ETOT(band)= -1.773825 trlgG= -2.472931 logG= -0.689463 TDE= -4.590309 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102687 tlogG= -0.574700 logG= -0.677386 Density= 3.501098 ETOT(band)= -1.761959 trlgG= -2.453117 logG= -0.677386 TDE= -4.585069 logGD-logG0= -0.101726 tlogG= -0.582838 logG= -0.684563 Density= 3.499167 ETOT(band)= -1.769238 trlgG= -2.463646 logG= -0.684563 TDE= -4.586872 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101631 tlogG= -0.584484 logG= -0.686115 Density= 3.498681 ETOT(band)= -1.770737 trlgG= -2.467981 logG= -0.686115 TDE= -4.589265 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101127 tlogG= -0.588245 logG= -0.689371 Density= 3.497572 ETOT(band)= -1.774367 trlgG= -2.471446 logG= -0.689371 TDE= -4.588583 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101457 tlogG= -0.587099 logG= -0.688556 Density= 3.498382 ETOT(band)= -1.772737 trlgG= -2.470990 logG= -0.688556 TDE= -4.589593 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101227 tlogG= -0.590276 logG= -0.691503 Density= 3.497702 ETOT(band)= -1.775484 trlgG= -2.476385 logG= -0.691503 TDE= -4.591495 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102134 tlogG= -0.578640 logG= -0.680774 Density= 3.499925 ETOT(band)= -1.765715 trlgG= -2.458652 logG= -0.680774 TDE= -4.586275 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101821 tlogG= -0.582403 logG= -0.684224 Density= 3.499326 ETOT(band)= -1.768772 trlgG= -2.463687 logG= -0.684224 TDE= -4.587379 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101303 tlogG= -0.585876 logG= -0.687179 Density= 3.497982 ETOT(band)= -1.772395 trlgG= -2.468237 logG= -0.687179 TDE= -4.587895 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 Sum of eigenvalues= -1156.46351813463 eV TrLogG= -1610.73603230862 eV Ratio to renormalize= 1.000360523936 rho-rho_expected=-0.060546192943 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 8) Finished k-point number 9 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= 0.834737935237053 0.831867560536292 0.835154979146810 0.831780284677809 0.835321991629247 0.831702404794771 0.834988732100735 0.831757418820447 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101208 tlogG= -0.588675 logG= -0.689883 Density= 3.497764 ETOT(band)= -1.774430 trlgG= -2.472912 logG= -0.689883 TDE= -4.589691 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101805 tlogG= -0.581556 logG= -0.683361 Density= 3.499186 ETOT(band)= -1.768357 trlgG= -2.462660 logG= -0.683361 TDE= -4.587103 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101370 tlogG= -0.587522 logG= -0.688892 Density= 3.498225 ETOT(band)= -1.773185 trlgG= -2.471036 logG= -0.688892 TDE= -4.589177 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101235 tlogG= -0.586177 logG= -0.687412 Density= 3.497927 ETOT(band)= -1.772677 trlgG= -2.467194 logG= -0.687412 TDE= -4.586575 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101285 tlogG= -0.587893 logG= -0.689178 Density= 3.498124 ETOT(band)= -1.773547 trlgG= -2.470797 logG= -0.689178 TDE= -4.588572 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101009 tlogG= -0.592777 logG= -0.693786 Density= 3.497162 ETOT(band)= -1.777703 trlgG= -2.480726 logG= -0.693786 TDE= -4.593120 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102132 tlogG= -0.578643 logG= -0.680775 Density= 3.499920 ETOT(band)= -1.765714 trlgG= -2.458651 logG= -0.680775 TDE= -4.586269 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102044 tlogG= -0.578833 logG= -0.680878 Density= 3.499647 ETOT(band)= -1.766094 trlgG= -2.459043 logG= -0.680878 TDE= -4.586340 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101496 tlogG= -0.585310 logG= -0.686805 Density= 3.498560 ETOT(band)= -1.771448 trlgG= -2.467481 logG= -0.686805 TDE= -4.587977 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101317 tlogG= -0.589797 logG= -0.691114 Density= 3.497801 ETOT(band)= -1.775058 trlgG= -2.476277 logG= -0.691114 TDE= -4.591855 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102220 tlogG= -0.578163 logG= -0.680383 Density= 3.500033 ETOT(band)= -1.765263 trlgG= -2.458192 logG= -0.680383 TDE= -4.586293 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101354 tlogG= -0.591408 logG= -0.692761 Density= 3.497857 ETOT(band)= -1.776051 trlgG= -2.479399 logG= -0.692761 TDE= -4.593375 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101954 tlogG= -0.580963 logG= -0.682917 Density= 3.499494 ETOT(band)= -1.767649 trlgG= -2.462152 logG= -0.682917 TDE= -4.587286 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102496 tlogG= -0.577259 logG= -0.679755 Density= 3.500756 ETOT(band)= -1.763984 trlgG= -2.457061 logG= -0.679755 TDE= -4.586371 logGD-logG0= -0.101225 tlogG= -0.590279 logG= -0.691504 Density= 3.497696 ETOT(band)= -1.775483 trlgG= -2.476385 logG= -0.691504 TDE= -4.591490 logGD-logG0= -0.101497 tlogG= -0.585024 logG= -0.686521 Density= 3.498401 ETOT(band)= -1.771372 trlgG= -2.468150 logG= -0.686521 TDE= -4.588804 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101166 tlogG= -0.590408 logG= -0.691574 Density= 3.497486 ETOT(band)= -1.775793 trlgG= -2.476718 logG= -0.691574 TDE= -4.591584 logGD-logG0= -0.101590 tlogG= -0.584822 logG= -0.686412 Density= 3.498726 ETOT(band)= -1.770915 trlgG= -2.467642 logG= -0.686412 TDE= -4.588665 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101165 tlogG= -0.592111 logG= -0.693276 Density= 3.497455 ETOT(band)= -1.776920 trlgG= -2.480008 logG= -0.693276 TDE= -4.593147 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101547 tlogG= -0.583228 logG= -0.684775 Density= 3.498568 ETOT(band)= -1.770076 trlgG= -2.464455 logG= -0.684775 TDE= -4.586989 logGD-logG0= -0.102110 tlogG= -0.580315 logG= -0.682425 Density= 3.499861 ETOT(band)= -1.766848 trlgG= -2.461718 logG= -0.682425 TDE= -4.587639 logGD-logG0= -0.101376 tlogG= -0.585527 logG= -0.686904 Density= 3.498098 ETOT(band)= -1.772019 trlgG= -2.468474 logG= -0.686904 TDE= -4.588501 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101094 tlogG= -0.590822 logG= -0.691916 Density= 3.497477 ETOT(band)= -1.776090 trlgG= -2.476794 logG= -0.691916 TDE= -4.591310 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101455 tlogG= -0.587102 logG= -0.688557 Density= 3.498377 ETOT(band)= -1.772736 trlgG= -2.470989 logG= -0.688557 TDE= -4.589587 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101396 tlogG= -0.585530 logG= -0.686926 Density= 3.498214 ETOT(band)= -1.771940 trlgG= -2.467915 logG= -0.686926 TDE= -4.588013 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101927 tlogG= -0.581939 logG= -0.683865 Density= 3.499545 ETOT(band)= -1.768235 trlgG= -2.463570 logG= -0.683865 TDE= -4.587796 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101223 tlogG= -0.587836 logG= -0.689060 Density= 3.497709 ETOT(band)= -1.773927 trlgG= -2.471895 logG= -0.689060 TDE= -4.589455 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101513 tlogG= -0.585436 logG= -0.686949 Density= 3.498716 ETOT(band)= -1.771360 trlgG= -2.467019 logG= -0.686949 TDE= -4.587497 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101645 tlogG= -0.582762 logG= -0.684407 Density= 3.498746 ETOT(band)= -1.769554 trlgG= -2.464528 logG= -0.684407 TDE= -4.587573 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101300 tlogG= -0.585879 logG= -0.687179 Density= 3.497976 ETOT(band)= -1.772394 trlgG= -2.468236 logG= -0.687179 TDE= -4.587889 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102684 tlogG= -0.574703 logG= -0.677387 Density= 3.501093 ETOT(band)= -1.761958 trlgG= -2.453116 logG= -0.677387 TDE= -4.585064 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101327 tlogG= -0.587369 logG= -0.688696 Density= 3.497900 ETOT(band)= -1.773395 trlgG= -2.471833 logG= -0.688696 TDE= -4.589909 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102452 tlogG= -0.575548 logG= -0.678000 Density= 3.500554 ETOT(band)= -1.763039 trlgG= -2.454413 logG= -0.678000 TDE= -4.585314 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101124 tlogG= -0.588248 logG= -0.689372 Density= 3.497566 ETOT(band)= -1.774366 trlgG= -2.471445 logG= -0.689372 TDE= -4.588577 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101468 tlogG= -0.585681 logG= -0.687149 Density= 3.498720 ETOT(band)= -1.771543 trlgG= -2.466270 logG= -0.687149 TDE= -4.586551 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102923 tlogG= -0.573816 logG= -0.676740 Density= 3.501685 ETOT(band)= -1.760800 trlgG= -2.451994 logG= -0.676740 TDE= -4.585063 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101761 tlogG= -0.582256 logG= -0.684016 Density= 3.498989 ETOT(band)= -1.768955 trlgG= -2.464391 logG= -0.684016 TDE= -4.588020 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101464 tlogG= -0.587561 logG= -0.689025 Density= 3.498266 ETOT(band)= -1.773144 trlgG= -2.472629 logG= -0.689025 TDE= -4.590669 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101714 tlogG= -0.584310 logG= -0.686024 Density= 3.498982 ETOT(band)= -1.770323 trlgG= -2.467505 logG= -0.686024 TDE= -4.589121 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101723 tlogG= -0.582841 logG= -0.684564 Density= 3.499162 ETOT(band)= -1.769236 trlgG= -2.463645 logG= -0.684564 TDE= -4.586865 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102403 tlogG= -0.577429 logG= -0.679832 Density= 3.500471 ETOT(band)= -1.764334 trlgG= -2.457421 logG= -0.679832 TDE= -4.586424 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101577 tlogG= -0.585144 logG= -0.686720 Density= 3.498770 ETOT(band)= -1.771091 trlgG= -2.467352 logG= -0.686720 TDE= -4.588101 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101628 tlogG= -0.584487 logG= -0.686116 Density= 3.498675 ETOT(band)= -1.770736 trlgG= -2.467980 logG= -0.686116 TDE= -4.589259 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101026 tlogG= -0.590971 logG= -0.691998 Density= 3.497252 ETOT(band)= -1.776436 trlgG= -2.477060 logG= -0.691998 TDE= -4.591314 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101818 tlogG= -0.582406 logG= -0.684225 Density= 3.499321 ETOT(band)= -1.768770 trlgG= -2.463686 logG= -0.684225 TDE= -4.587373 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101327 tlogG= -0.588136 logG= -0.689463 Density= 3.497980 ETOT(band)= -1.773824 trlgG= -2.472930 logG= -0.689463 TDE= -4.590303 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102311 tlogG= -0.577983 logG= -0.680294 Density= 3.500311 ETOT(band)= -1.764899 trlgG= -2.457795 logG= -0.680294 TDE= -4.586208 logGD-logG0= -0.101369 tlogG= -0.589689 logG= -0.691058 Density= 3.497994 ETOT(band)= -1.774785 trlgG= -2.475931 logG= -0.691058 TDE= -4.591721 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.46279616025 eV TrLogG= -1610.73273033746 eV Ratio to renormalize= 1.000362049244 rho-rho_expected=-0.060802259498 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834737931364090 0.831867531312267 0.835154978450534 0.831780253729860 0.835321985337694 0.831702373982175 0.834988727276986 0.831757386261857 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101094 tlogG= -0.590823 logG= -0.691917 Density= 3.497477 ETOT(band)= -1.776089 trlgG= -2.476794 logG= -0.691917 TDE= -4.591309 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.102220 tlogG= -0.578163 logG= -0.680384 Density= 3.500033 ETOT(band)= -1.765263 trlgG= -2.458192 logG= -0.680384 TDE= -4.586292 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101805 tlogG= -0.581557 logG= -0.683362 Density= 3.499185 ETOT(band)= -1.768356 trlgG= -2.462660 logG= -0.683362 TDE= -4.587102 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101760 tlogG= -0.582256 logG= -0.684017 Density= 3.498989 ETOT(band)= -1.768954 trlgG= -2.464391 logG= -0.684017 TDE= -4.588019 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101327 tlogG= -0.587370 logG= -0.688697 Density= 3.497899 ETOT(band)= -1.773394 trlgG= -2.471833 logG= -0.688697 TDE= -4.589908 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101590 tlogG= -0.584822 logG= -0.686412 Density= 3.498726 ETOT(band)= -1.770915 trlgG= -2.467642 logG= -0.686412 TDE= -4.588664 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101370 tlogG= -0.587523 logG= -0.688893 Density= 3.498225 ETOT(band)= -1.773185 trlgG= -2.471036 logG= -0.688893 TDE= -4.589176 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101376 tlogG= -0.585528 logG= -0.686905 Density= 3.498097 ETOT(band)= -1.772018 trlgG= -2.468474 logG= -0.686905 TDE= -4.588500 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101396 tlogG= -0.585531 logG= -0.686927 Density= 3.498214 ETOT(band)= -1.771939 trlgG= -2.467915 logG= -0.686927 TDE= -4.588012 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101468 tlogG= -0.585681 logG= -0.687149 Density= 3.498719 ETOT(band)= -1.771542 trlgG= -2.466269 logG= -0.687149 TDE= -4.586550 logGD-logG0= -0.101317 tlogG= -0.589798 logG= -0.691115 Density= 3.497801 ETOT(band)= -1.775057 trlgG= -2.476277 logG= -0.691115 TDE= -4.591854 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101495 tlogG= -0.585311 logG= -0.686806 Density= 3.498559 ETOT(band)= -1.771447 trlgG= -2.467481 logG= -0.686806 TDE= -4.587976 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101353 tlogG= -0.591408 logG= -0.692762 Density= 3.497857 ETOT(band)= -1.776050 trlgG= -2.479399 logG= -0.692762 TDE= -4.593374 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101714 tlogG= -0.584311 logG= -0.686025 Density= 3.498982 ETOT(band)= -1.770322 trlgG= -2.467505 logG= -0.686025 TDE= -4.589120 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101223 tlogG= -0.587837 logG= -0.689060 Density= 3.497709 ETOT(band)= -1.773926 trlgG= -2.471895 logG= -0.689060 TDE= -4.589454 logGD-logG0= -0.102496 tlogG= -0.577259 logG= -0.679755 Density= 3.500756 ETOT(band)= -1.763983 trlgG= -2.457061 logG= -0.679755 TDE= -4.586370 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102044 tlogG= -0.578834 logG= -0.680878 Density= 3.499647 ETOT(band)= -1.766093 trlgG= -2.459043 logG= -0.680878 TDE= -4.586339 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101009 tlogG= -0.592778 logG= -0.693787 Density= 3.497162 ETOT(band)= -1.777702 trlgG= -2.480726 logG= -0.693787 TDE= -4.593119 logGD-logG0= -0.101547 tlogG= -0.583229 logG= -0.684776 Density= 3.498568 ETOT(band)= -1.770075 trlgG= -2.464455 logG= -0.684776 TDE= -4.586988 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102110 tlogG= -0.580315 logG= -0.682426 Density= 3.499861 ETOT(band)= -1.766847 trlgG= -2.461718 logG= -0.682426 TDE= -4.587638 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101235 tlogG= -0.586178 logG= -0.687413 Density= 3.497927 ETOT(band)= -1.772676 trlgG= -2.467193 logG= -0.687413 TDE= -4.586574 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101166 tlogG= -0.590409 logG= -0.691575 Density= 3.497486 ETOT(band)= -1.775792 trlgG= -2.476718 logG= -0.691575 TDE= -4.591583 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101327 tlogG= -0.588137 logG= -0.689464 Density= 3.497980 ETOT(band)= -1.773824 trlgG= -2.472930 logG= -0.689464 TDE= -4.590302 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101513 tlogG= -0.585437 logG= -0.686950 Density= 3.498716 ETOT(band)= -1.771359 trlgG= -2.467019 logG= -0.686950 TDE= -4.587496 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101208 tlogG= -0.588675 logG= -0.689884 Density= 3.497764 ETOT(band)= -1.774429 trlgG= -2.472911 logG= -0.689884 TDE= -4.589690 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101818 tlogG= -0.582407 logG= -0.684225 Density= 3.499320 ETOT(band)= -1.768770 trlgG= -2.463686 logG= -0.684225 TDE= -4.587372 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101645 tlogG= -0.582762 logG= -0.684407 Density= 3.498746 ETOT(band)= -1.769553 trlgG= -2.464528 logG= -0.684407 TDE= -4.587572 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101285 tlogG= -0.587894 logG= -0.689178 Density= 3.498124 ETOT(band)= -1.773546 trlgG= -2.470797 logG= -0.689178 TDE= -4.588571 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102452 tlogG= -0.575548 logG= -0.678000 Density= 3.500553 ETOT(band)= -1.763039 trlgG= -2.454412 logG= -0.678000 TDE= -4.585313 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101224 tlogG= -0.590280 logG= -0.691504 Density= 3.497696 ETOT(band)= -1.775482 trlgG= -2.476384 logG= -0.691504 TDE= -4.591489 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102923 tlogG= -0.573817 logG= -0.676740 Density= 3.501685 ETOT(band)= -1.760800 trlgG= -2.451994 logG= -0.676740 TDE= -4.585063 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101954 tlogG= -0.580964 logG= -0.682918 Density= 3.499494 ETOT(band)= -1.767648 trlgG= -2.462152 logG= -0.682918 TDE= -4.587285 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102403 tlogG= -0.577430 logG= -0.679833 Density= 3.500471 ETOT(band)= -1.764333 trlgG= -2.457421 logG= -0.679833 TDE= -4.586423 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101026 tlogG= -0.590972 logG= -0.691999 Density= 3.497251 ETOT(band)= -1.776435 trlgG= -2.477060 logG= -0.691999 TDE= -4.591313 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101464 tlogG= -0.587562 logG= -0.689025 Density= 3.498265 ETOT(band)= -1.773143 trlgG= -2.472628 logG= -0.689025 TDE= -4.590668 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101368 tlogG= -0.589690 logG= -0.691058 Density= 3.497994 ETOT(band)= -1.774784 trlgG= -2.475930 logG= -0.691058 TDE= -4.591720 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101497 tlogG= -0.585025 logG= -0.686521 Density= 3.498401 ETOT(band)= -1.771371 trlgG= -2.468150 logG= -0.686521 TDE= -4.588803 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101165 tlogG= -0.592112 logG= -0.693277 Density= 3.497455 ETOT(band)= -1.776919 trlgG= -2.480008 logG= -0.693277 TDE= -4.593146 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102132 tlogG= -0.578644 logG= -0.680775 Density= 3.499920 ETOT(band)= -1.765713 trlgG= -2.458650 logG= -0.680775 TDE= -4.586268 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101455 tlogG= -0.587102 logG= -0.688558 Density= 3.498377 ETOT(band)= -1.772735 trlgG= -2.470989 logG= -0.688558 TDE= -4.589586 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101723 tlogG= -0.582841 logG= -0.684565 Density= 3.499162 ETOT(band)= -1.769236 trlgG= -2.463644 logG= -0.684565 TDE= -4.586864 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101577 tlogG= -0.585144 logG= -0.686721 Density= 3.498770 ETOT(band)= -1.771090 trlgG= -2.467351 logG= -0.686721 TDE= -4.588100 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101628 tlogG= -0.584488 logG= -0.686116 Density= 3.498675 ETOT(band)= -1.770735 trlgG= -2.467980 logG= -0.686116 TDE= -4.589258 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102684 tlogG= -0.574703 logG= -0.677388 Density= 3.501093 ETOT(band)= -1.761957 trlgG= -2.453116 logG= -0.677388 TDE= -4.585063 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101927 tlogG= -0.581940 logG= -0.683866 Density= 3.499544 ETOT(band)= -1.768234 trlgG= -2.463570 logG= -0.683866 TDE= -4.587795 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102311 tlogG= -0.577984 logG= -0.680295 Density= 3.500311 ETOT(band)= -1.764898 trlgG= -2.457795 logG= -0.680295 TDE= -4.586207 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101124 tlogG= -0.588249 logG= -0.689373 Density= 3.497566 ETOT(band)= -1.774365 trlgG= -2.471445 logG= -0.689373 TDE= -4.588576 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101300 tlogG= -0.585880 logG= -0.687180 Density= 3.497976 ETOT(band)= -1.772393 trlgG= -2.468235 logG= -0.687180 TDE= -4.587888 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 Sum of eigenvalues= -1156.46227654024 eV TrLogG= -1610.73255437232 eV Ratio to renormalize= 1.000362100338 rho-rho_expected=-0.060810837196 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834666090014139 0.831799111920788 0.835084237319638 0.831711363212102 0.835250745402208 0.831633629546380 0.834917126377654 0.831688708318080 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101299 tlogG= -0.587467 logG= -0.688767 Density= 3.497830 ETOT(band)= -1.773352 trlgG= -2.471853 logG= -0.688767 TDE= -4.589803 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101180 tlogG= -0.588773 logG= -0.689954 Density= 3.497695 ETOT(band)= -1.774387 trlgG= -2.472931 logG= -0.689954 TDE= -4.589585 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100981 tlogG= -0.592878 logG= -0.693859 Density= 3.497092 ETOT(band)= -1.777662 trlgG= -2.480754 logG= -0.693859 TDE= -4.593019 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101066 tlogG= -0.590921 logG= -0.691987 Density= 3.497408 ETOT(band)= -1.776048 trlgG= -2.476819 logG= -0.691987 TDE= -4.591209 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101790 tlogG= -0.582503 logG= -0.684294 Density= 3.499251 ETOT(band)= -1.768726 trlgG= -2.463704 logG= -0.684294 TDE= -4.587267 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101257 tlogG= -0.587990 logG= -0.689247 Density= 3.498055 ETOT(band)= -1.773503 trlgG= -2.470818 logG= -0.689247 TDE= -4.588468 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101562 tlogG= -0.584920 logG= -0.686481 Density= 3.498657 ETOT(band)= -1.770872 trlgG= -2.467660 logG= -0.686481 TDE= -4.588558 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102894 tlogG= -0.573915 logG= -0.676809 Density= 3.501614 ETOT(band)= -1.760758 trlgG= -2.452020 logG= -0.676809 TDE= -4.584963 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101349 tlogG= -0.585625 logG= -0.686974 Density= 3.498029 ETOT(band)= -1.771975 trlgG= -2.468492 logG= -0.686974 TDE= -4.588394 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101695 tlogG= -0.582937 logG= -0.684632 Density= 3.499093 ETOT(band)= -1.769192 trlgG= -2.463655 logG= -0.684632 TDE= -4.586752 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102282 tlogG= -0.578081 logG= -0.680363 Density= 3.500242 ETOT(band)= -1.764856 trlgG= -2.457819 logG= -0.680363 TDE= -4.586107 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101325 tlogG= -0.591509 logG= -0.692834 Density= 3.497786 ETOT(band)= -1.776011 trlgG= -2.479440 logG= -0.692834 TDE= -4.593287 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101926 tlogG= -0.581061 logG= -0.682987 Density= 3.499424 ETOT(band)= -1.767605 trlgG= -2.462172 logG= -0.682987 TDE= -4.587180 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102467 tlogG= -0.577357 logG= -0.679824 Density= 3.500686 ETOT(band)= -1.763941 trlgG= -2.457086 logG= -0.679824 TDE= -4.586269 logGD-logG0= -0.101207 tlogG= -0.586274 logG= -0.687481 Density= 3.497859 ETOT(band)= -1.772632 trlgG= -2.467208 logG= -0.687481 TDE= -4.586466 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102016 tlogG= -0.578930 logG= -0.680946 Density= 3.499578 ETOT(band)= -1.766050 trlgG= -2.459054 logG= -0.680946 TDE= -4.586226 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101732 tlogG= -0.582353 logG= -0.684086 Density= 3.498919 ETOT(band)= -1.768912 trlgG= -2.464409 logG= -0.684086 TDE= -4.587914 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101368 tlogG= -0.585628 logG= -0.686996 Density= 3.498145 ETOT(band)= -1.771896 trlgG= -2.467930 logG= -0.686996 TDE= -4.587903 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101519 tlogG= -0.583325 logG= -0.684843 Density= 3.498499 ETOT(band)= -1.770031 trlgG= -2.464466 logG= -0.684843 TDE= -4.586875 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101600 tlogG= -0.584586 logG= -0.686186 Density= 3.498606 ETOT(band)= -1.770693 trlgG= -2.468001 logG= -0.686186 TDE= -4.589153 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101342 tlogG= -0.587620 logG= -0.688962 Density= 3.498156 ETOT(band)= -1.773142 trlgG= -2.471055 logG= -0.688962 TDE= -4.589071 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101289 tlogG= -0.589897 logG= -0.691186 Density= 3.497731 ETOT(band)= -1.775017 trlgG= -2.476312 logG= -0.691186 TDE= -4.591763 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101777 tlogG= -0.581653 logG= -0.683430 Density= 3.499116 ETOT(band)= -1.768313 trlgG= -2.462672 logG= -0.683430 TDE= -4.586990 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.100998 tlogG= -0.591071 logG= -0.692069 Density= 3.497182 ETOT(band)= -1.776394 trlgG= -2.477086 logG= -0.692069 TDE= -4.591213 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101427 tlogG= -0.587200 logG= -0.688627 Density= 3.498308 ETOT(band)= -1.772693 trlgG= -2.471011 logG= -0.688627 TDE= -4.589483 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102103 tlogG= -0.578740 logG= -0.680843 Density= 3.499850 ETOT(band)= -1.765670 trlgG= -2.458662 logG= -0.680843 TDE= -4.586155 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101137 tlogG= -0.590508 logG= -0.691645 Density= 3.497417 ETOT(band)= -1.775751 trlgG= -2.476749 logG= -0.691645 TDE= -4.591488 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101440 tlogG= -0.585777 logG= -0.687217 Density= 3.498651 ETOT(band)= -1.771498 trlgG= -2.466281 logG= -0.687217 TDE= -4.586439 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101898 tlogG= -0.582036 logG= -0.683935 Density= 3.499475 ETOT(band)= -1.768191 trlgG= -2.463589 logG= -0.683935 TDE= -4.587690 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102655 tlogG= -0.574801 logG= -0.677456 Density= 3.501022 ETOT(band)= -1.761915 trlgG= -2.453138 logG= -0.677456 TDE= -4.584959 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101617 tlogG= -0.582859 logG= -0.684476 Density= 3.498678 ETOT(band)= -1.769510 trlgG= -2.464546 logG= -0.684476 TDE= -4.587466 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102423 tlogG= -0.575645 logG= -0.678069 Density= 3.500483 ETOT(band)= -1.762996 trlgG= -2.454425 logG= -0.678069 TDE= -4.585201 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101467 tlogG= -0.585407 logG= -0.686875 Density= 3.498490 ETOT(band)= -1.771404 trlgG= -2.467496 logG= -0.686875 TDE= -4.587867 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101436 tlogG= -0.587660 logG= -0.689096 Density= 3.498196 ETOT(band)= -1.773102 trlgG= -2.472651 logG= -0.689096 TDE= -4.590564 logGD-logG0= -0.101340 tlogG= -0.589789 logG= -0.691130 Density= 3.497924 ETOT(band)= -1.774744 trlgG= -2.475965 logG= -0.691130 TDE= -4.591627 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101299 tlogG= -0.588235 logG= -0.689534 Density= 3.497910 ETOT(band)= -1.773782 trlgG= -2.472951 logG= -0.689534 TDE= -4.590197 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101137 tlogG= -0.592212 logG= -0.693349 Density= 3.497385 ETOT(band)= -1.776880 trlgG= -2.480042 logG= -0.693349 TDE= -4.593052 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101196 tlogG= -0.590379 logG= -0.691575 Density= 3.497627 ETOT(band)= -1.775441 trlgG= -2.476414 logG= -0.691575 TDE= -4.591392 logGD-logG0= -0.101549 tlogG= -0.585241 logG= -0.686790 Density= 3.498701 ETOT(band)= -1.771047 trlgG= -2.467366 logG= -0.686790 TDE= -4.587991 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102192 tlogG= -0.578260 logG= -0.680452 Density= 3.499963 ETOT(band)= -1.765220 trlgG= -2.458215 logG= -0.680452 TDE= -4.586191 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102082 tlogG= -0.580413 logG= -0.682495 Density= 3.499791 ETOT(band)= -1.766805 trlgG= -2.461739 logG= -0.682495 TDE= -4.587533 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101686 tlogG= -0.584409 logG= -0.686095 Density= 3.498912 ETOT(band)= -1.770280 trlgG= -2.467526 logG= -0.686095 TDE= -4.589016 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102374 tlogG= -0.577527 logG= -0.679901 Density= 3.500401 ETOT(band)= -1.764291 trlgG= -2.457445 logG= -0.679901 TDE= -4.586323 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101468 tlogG= -0.585122 logG= -0.686590 Density= 3.498332 ETOT(band)= -1.771329 trlgG= -2.468169 logG= -0.686590 TDE= -4.588697 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101485 tlogG= -0.585533 logG= -0.687018 Density= 3.498648 ETOT(band)= -1.771316 trlgG= -2.467031 logG= -0.687018 TDE= -4.587385 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101272 tlogG= -0.585976 logG= -0.687248 Density= 3.497908 ETOT(band)= -1.772349 trlgG= -2.468252 logG= -0.687248 TDE= -4.587782 logGD-logG0= -0.101195 tlogG= -0.587935 logG= -0.689130 Density= 3.497640 ETOT(band)= -1.773884 trlgG= -2.471915 logG= -0.689130 TDE= -4.589349 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101096 tlogG= -0.588345 logG= -0.689442 Density= 3.497498 ETOT(band)= -1.774322 trlgG= -2.471463 logG= -0.689442 TDE= -4.588471 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.43471744009 eV TrLogG= -1610.70970625098 eV Ratio to renormalize= 1.000381908886 rho-rho_expected=-0.064136198610 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 29) Finished k-point number 30 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 8) Finished k-point number 9 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= 105 47) Finished k-point number 48 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 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= 105 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 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= 104 44) Finished k-point number 45 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834657591611327 0.831791803832423 0.835075911941930 0.831703965014002 0.835242309623441 0.831626283957003 0.834908669666524 0.831681374953194 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101467 tlogG= -0.583326 logG= -0.684793 Density= 3.498360 ETOT(band)= -1.770118 trlgG= -2.464501 logG= -0.684793 TDE= -4.586848 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101206 tlogG= -0.587992 logG= -0.689198 Density= 3.497919 ETOT(band)= -1.773588 trlgG= -2.470852 logG= -0.689198 TDE= -4.588442 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100930 tlogG= -0.592879 logG= -0.693809 Density= 3.496955 ETOT(band)= -1.777748 trlgG= -2.480788 logG= -0.693809 TDE= -4.592994 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102140 tlogG= -0.578262 logG= -0.680402 Density= 3.499820 ETOT(band)= -1.765310 trlgG= -2.458254 logG= -0.680402 TDE= -4.586165 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101086 tlogG= -0.592214 logG= -0.693299 Density= 3.497246 ETOT(band)= -1.776966 trlgG= -2.480079 logG= -0.693299 TDE= -4.593028 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101015 tlogG= -0.590922 logG= -0.691938 Density= 3.497271 ETOT(band)= -1.776134 trlgG= -2.476854 logG= -0.691938 TDE= -4.591184 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.101291 tlogG= -0.587621 logG= -0.688913 Density= 3.498019 ETOT(band)= -1.773228 trlgG= -2.471090 logG= -0.688913 TDE= -4.589045 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101416 tlogG= -0.585409 logG= -0.686825 Density= 3.498352 ETOT(band)= -1.771490 trlgG= -2.467530 logG= -0.686825 TDE= -4.587840 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101144 tlogG= -0.587936 logG= -0.689080 Density= 3.497502 ETOT(band)= -1.773970 trlgG= -2.471949 logG= -0.689080 TDE= -4.589322 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101874 tlogG= -0.581062 logG= -0.682937 Density= 3.499283 ETOT(band)= -1.767694 trlgG= -2.462209 logG= -0.682937 TDE= -4.587154 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101248 tlogG= -0.587469 logG= -0.688717 Density= 3.497691 ETOT(band)= -1.773438 trlgG= -2.471888 logG= -0.688717 TDE= -4.589776 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101964 tlogG= -0.578932 logG= -0.680896 Density= 3.499436 ETOT(band)= -1.766138 trlgG= -2.459090 logG= -0.680896 TDE= -4.586199 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101086 tlogG= -0.590510 logG= -0.691596 Density= 3.497279 ETOT(band)= -1.775837 trlgG= -2.476785 logG= -0.691596 TDE= -4.591463 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101389 tlogG= -0.585778 logG= -0.687167 Density= 3.498514 ETOT(band)= -1.771583 trlgG= -2.466313 logG= -0.687167 TDE= -4.586411 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102371 tlogG= -0.575647 logG= -0.678018 Density= 3.500338 ETOT(band)= -1.763087 trlgG= -2.454463 logG= -0.678018 TDE= -4.585174 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101725 tlogG= -0.581655 logG= -0.683380 Density= 3.498976 ETOT(band)= -1.768401 trlgG= -2.462707 logG= -0.683380 TDE= -4.586962 logGD-logG0= -0.101155 tlogG= -0.586275 logG= -0.687431 Density= 3.497721 ETOT(band)= -1.772718 trlgG= -2.467242 logG= -0.687431 TDE= -4.586440 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101644 tlogG= -0.582939 logG= -0.684583 Density= 3.498955 ETOT(band)= -1.769278 trlgG= -2.463689 logG= -0.684583 TDE= -4.586725 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101634 tlogG= -0.584410 logG= -0.686045 Density= 3.498771 ETOT(band)= -1.770368 trlgG= -2.467563 logG= -0.686045 TDE= -4.588989 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101510 tlogG= -0.584921 logG= -0.686431 Density= 3.498517 ETOT(band)= -1.770959 trlgG= -2.467696 logG= -0.686431 TDE= -4.588532 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101565 tlogG= -0.582860 logG= -0.684426 Density= 3.498538 ETOT(band)= -1.769597 trlgG= -2.464582 logG= -0.684426 TDE= -4.587440 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101417 tlogG= -0.585123 logG= -0.686540 Density= 3.498192 ETOT(band)= -1.771416 trlgG= -2.468204 logG= -0.686540 TDE= -4.588671 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101237 tlogG= -0.589899 logG= -0.691136 Density= 3.497591 ETOT(band)= -1.775104 trlgG= -2.476350 logG= -0.691136 TDE= -4.591738 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101297 tlogG= -0.585626 logG= -0.686923 Density= 3.497890 ETOT(band)= -1.772061 trlgG= -2.468527 logG= -0.686923 TDE= -4.588367 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101847 tlogG= -0.582038 logG= -0.683885 Density= 3.499334 ETOT(band)= -1.768280 trlgG= -2.463626 logG= -0.683885 TDE= -4.587664 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101273 tlogG= -0.591511 logG= -0.692784 Density= 3.497645 ETOT(band)= -1.776100 trlgG= -2.479480 logG= -0.692784 TDE= -4.593263 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102051 tlogG= -0.578742 logG= -0.680793 Density= 3.499708 ETOT(band)= -1.765759 trlgG= -2.458698 logG= -0.680793 TDE= -4.586128 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101221 tlogG= -0.585977 logG= -0.687198 Density= 3.497769 ETOT(band)= -1.772436 trlgG= -2.468286 logG= -0.687198 TDE= -4.587755 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101129 tlogG= -0.588775 logG= -0.689904 Density= 3.497557 ETOT(band)= -1.774473 trlgG= -2.472965 logG= -0.689904 TDE= -4.589558 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101739 tlogG= -0.582505 logG= -0.684244 Density= 3.499112 ETOT(band)= -1.768813 trlgG= -2.463739 logG= -0.684244 TDE= -4.587240 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101498 tlogG= -0.585242 logG= -0.686740 Density= 3.498562 ETOT(band)= -1.771134 trlgG= -2.467400 logG= -0.686740 TDE= -4.587964 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101316 tlogG= -0.585629 logG= -0.686946 Density= 3.498007 ETOT(band)= -1.771983 trlgG= -2.467964 logG= -0.686946 TDE= -4.587876 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101376 tlogG= -0.587202 logG= -0.688577 Density= 3.498169 ETOT(band)= -1.772780 trlgG= -2.471046 logG= -0.688577 TDE= -4.589456 logGD-logG0= -0.102603 tlogG= -0.574802 logG= -0.677405 Density= 3.500875 ETOT(band)= -1.762007 trlgG= -2.453179 logG= -0.677405 TDE= -4.584933 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101548 tlogG= -0.584587 logG= -0.686136 Density= 3.498465 ETOT(band)= -1.770781 trlgG= -2.468037 logG= -0.686136 TDE= -4.589127 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102230 tlogG= -0.578083 logG= -0.680313 Density= 3.500098 ETOT(band)= -1.764945 trlgG= -2.457858 logG= -0.680313 TDE= -4.586081 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101681 tlogG= -0.582355 logG= -0.684035 Density= 3.498778 ETOT(band)= -1.769000 trlgG= -2.464446 logG= -0.684035 TDE= -4.587887 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102842 tlogG= -0.573917 logG= -0.676759 Density= 3.501465 ETOT(band)= -1.760852 trlgG= -2.452064 logG= -0.676759 TDE= -4.584938 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101045 tlogG= -0.588347 logG= -0.689392 Density= 3.497361 ETOT(band)= -1.774408 trlgG= -2.471497 logG= -0.689392 TDE= -4.588445 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102030 tlogG= -0.580415 logG= -0.682444 Density= 3.499647 ETOT(band)= -1.766895 trlgG= -2.461777 logG= -0.682444 TDE= -4.587507 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102415 tlogG= -0.577359 logG= -0.679774 Density= 3.500540 ETOT(band)= -1.764032 trlgG= -2.457127 logG= -0.679774 TDE= -4.586243 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101434 tlogG= -0.585534 logG= -0.686968 Density= 3.498510 ETOT(band)= -1.771402 trlgG= -2.467064 logG= -0.686968 TDE= -4.587358 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100947 tlogG= -0.591072 logG= -0.692019 Density= 3.497046 ETOT(band)= -1.776480 trlgG= -2.477120 logG= -0.692019 TDE= -4.591188 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101145 tlogG= -0.590380 logG= -0.691525 Density= 3.497489 ETOT(band)= -1.775527 trlgG= -2.476450 logG= -0.691525 TDE= -4.591367 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101384 tlogG= -0.587662 logG= -0.689046 Density= 3.498055 ETOT(band)= -1.773190 trlgG= -2.472688 logG= -0.689046 TDE= -4.590538 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101289 tlogG= -0.589791 logG= -0.691080 Density= 3.497784 ETOT(band)= -1.774832 trlgG= -2.476003 logG= -0.691080 TDE= -4.591603 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102322 tlogG= -0.577529 logG= -0.679851 Density= 3.500256 ETOT(band)= -1.764382 trlgG= -2.457485 logG= -0.679851 TDE= -4.586297 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101248 tlogG= -0.588237 logG= -0.689484 Density= 3.497772 ETOT(band)= -1.773869 trlgG= -2.472986 logG= -0.689484 TDE= -4.590171 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.49184111475 eV TrLogG= -1610.65990954414 eV Ratio to renormalize= 1.000421972395 rho-rho_expected=-0.070861460771 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 40) Finished k-point number 41 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= 0.834702986651386 0.831834011874645 0.835120392979689 0.831746566211339 0.835287334714761 0.831668703335539 0.834953897902811 0.831723766847875 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101062 tlogG= -0.588279 logG= -0.689340 Density= 3.497402 ETOT(band)= -1.774442 trlgG= -2.471485 logG= -0.689340 TDE= -4.588517 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100947 tlogG= -0.592809 logG= -0.693756 Density= 3.496997 ETOT(band)= -1.777780 trlgG= -2.480770 logG= -0.693756 TDE= -4.593062 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101308 tlogG= -0.587553 logG= -0.688861 Density= 3.498061 ETOT(band)= -1.773261 trlgG= -2.471076 logG= -0.688861 TDE= -4.589116 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101032 tlogG= -0.590853 logG= -0.691885 Density= 3.497313 ETOT(band)= -1.776166 trlgG= -2.476837 logG= -0.691885 TDE= -4.591253 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101527 tlogG= -0.584853 logG= -0.686380 Density= 3.498559 ETOT(band)= -1.770993 trlgG= -2.467683 logG= -0.686380 TDE= -4.588604 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101484 tlogG= -0.583258 logG= -0.684743 Density= 3.498401 ETOT(band)= -1.770153 trlgG= -2.464493 logG= -0.684743 TDE= -4.586924 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101742 tlogG= -0.581587 logG= -0.683329 Density= 3.499017 ETOT(band)= -1.768435 trlgG= -2.462698 logG= -0.683329 TDE= -4.587038 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101223 tlogG= -0.587924 logG= -0.689146 Density= 3.497961 ETOT(band)= -1.773622 trlgG= -2.470838 logG= -0.689146 TDE= -4.588513 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102068 tlogG= -0.578674 logG= -0.680742 Density= 3.499750 ETOT(band)= -1.765793 trlgG= -2.458689 logG= -0.680742 TDE= -4.586204 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101146 tlogG= -0.588706 logG= -0.689852 Density= 3.497599 ETOT(band)= -1.774507 trlgG= -2.472952 logG= -0.689852 TDE= -4.589630 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101651 tlogG= -0.584342 logG= -0.685993 Density= 3.498813 ETOT(band)= -1.770402 trlgG= -2.467549 logG= -0.685993 TDE= -4.589061 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101891 tlogG= -0.580994 logG= -0.682885 Density= 3.499324 ETOT(band)= -1.767728 trlgG= -2.462195 logG= -0.682885 TDE= -4.587225 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101433 tlogG= -0.585341 logG= -0.686774 Density= 3.498394 ETOT(band)= -1.771524 trlgG= -2.467520 logG= -0.686774 TDE= -4.587914 logGD-logG0= -0.101401 tlogG= -0.587593 logG= -0.688994 Density= 3.498097 ETOT(band)= -1.773223 trlgG= -2.472672 logG= -0.688994 TDE= -4.590609 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101290 tlogG= -0.591440 logG= -0.692731 Density= 3.497687 ETOT(band)= -1.776131 trlgG= -2.479453 logG= -0.692731 TDE= -4.593324 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101254 tlogG= -0.589829 logG= -0.691083 Density= 3.497633 ETOT(band)= -1.775137 trlgG= -2.476327 logG= -0.691083 TDE= -4.591802 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101172 tlogG= -0.586208 logG= -0.687380 Density= 3.497762 ETOT(band)= -1.772753 trlgG= -2.467232 logG= -0.687380 TDE= -4.586513 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101265 tlogG= -0.587400 logG= -0.688665 Density= 3.497733 ETOT(band)= -1.773472 trlgG= -2.471875 logG= -0.688665 TDE= -4.589848 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101393 tlogG= -0.587133 logG= -0.688526 Density= 3.498210 ETOT(band)= -1.772814 trlgG= -2.471032 logG= -0.688526 TDE= -4.589527 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100964 tlogG= -0.591003 logG= -0.691967 Density= 3.497087 ETOT(band)= -1.776513 trlgG= -2.477104 logG= -0.691967 TDE= -4.591257 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101314 tlogG= -0.585558 logG= -0.686872 Density= 3.497931 ETOT(band)= -1.772095 trlgG= -2.468515 logG= -0.686872 TDE= -4.588440 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102047 tlogG= -0.580346 logG= -0.682393 Density= 3.499689 ETOT(band)= -1.766928 trlgG= -2.461763 logG= -0.682393 TDE= -4.587578 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101333 tlogG= -0.585561 logG= -0.686894 Density= 3.498048 ETOT(band)= -1.772017 trlgG= -2.467954 logG= -0.686894 TDE= -4.587950 logGD-logG0= -0.101160 tlogG= -0.587868 logG= -0.689028 Density= 3.497544 ETOT(band)= -1.774003 trlgG= -2.471936 logG= -0.689028 TDE= -4.589394 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101103 tlogG= -0.592143 logG= -0.693246 Density= 3.497288 ETOT(band)= -1.776998 trlgG= -2.480057 logG= -0.693246 TDE= -4.593093 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101406 tlogG= -0.585711 logG= -0.687117 Density= 3.498556 ETOT(band)= -1.771617 trlgG= -2.466305 logG= -0.687117 TDE= -4.586487 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102432 tlogG= -0.577290 logG= -0.679722 Density= 3.500582 ETOT(band)= -1.764066 trlgG= -2.457110 logG= -0.679722 TDE= -4.586312 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102157 tlogG= -0.578194 logG= -0.680350 Density= 3.499862 ETOT(band)= -1.765343 trlgG= -2.458238 logG= -0.680350 TDE= -4.586234 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101981 tlogG= -0.578864 logG= -0.680845 Density= 3.499477 ETOT(band)= -1.766172 trlgG= -2.459082 logG= -0.680845 TDE= -4.586275 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102859 tlogG= -0.573848 logG= -0.676707 Density= 3.501507 ETOT(band)= -1.760884 trlgG= -2.452046 logG= -0.676707 TDE= -4.585005 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101451 tlogG= -0.585466 logG= -0.686917 Density= 3.498552 ETOT(band)= -1.771436 trlgG= -2.467056 logG= -0.686917 TDE= -4.587433 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101565 tlogG= -0.584519 logG= -0.686084 Density= 3.498506 ETOT(band)= -1.770814 trlgG= -2.468023 logG= -0.686084 TDE= -4.589198 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101756 tlogG= -0.582437 logG= -0.684193 Density= 3.499153 ETOT(band)= -1.768848 trlgG= -2.463727 logG= -0.684193 TDE= -4.587312 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102247 tlogG= -0.578014 logG= -0.680262 Density= 3.500140 ETOT(band)= -1.764979 trlgG= -2.457842 logG= -0.680262 TDE= -4.586150 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101265 tlogG= -0.588168 logG= -0.689432 Density= 3.497813 ETOT(band)= -1.773902 trlgG= -2.472972 logG= -0.689432 TDE= -4.590242 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101238 tlogG= -0.585910 logG= -0.687147 Density= 3.497811 ETOT(band)= -1.772470 trlgG= -2.468275 logG= -0.687147 TDE= -4.587828 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.102620 tlogG= -0.574734 logG= -0.677354 Density= 3.500918 ETOT(band)= -1.762040 trlgG= -2.453164 logG= -0.677354 TDE= -4.585004 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101864 tlogG= -0.581970 logG= -0.683834 Density= 3.499375 ETOT(band)= -1.768313 trlgG= -2.463613 logG= -0.683834 TDE= -4.587736 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101103 tlogG= -0.590440 logG= -0.691543 Density= 3.497321 ETOT(band)= -1.775870 trlgG= -2.476765 logG= -0.691543 TDE= -4.591529 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102339 tlogG= -0.577460 logG= -0.679799 Density= 3.500298 ETOT(band)= -1.764416 trlgG= -2.457469 logG= -0.679799 TDE= -4.586366 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102388 tlogG= -0.575579 logG= -0.677967 Density= 3.500381 ETOT(band)= -1.763120 trlgG= -2.454454 logG= -0.677967 TDE= -4.585250 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101162 tlogG= -0.590311 logG= -0.691473 Density= 3.497531 ETOT(band)= -1.775559 trlgG= -2.476430 logG= -0.691473 TDE= -4.591434 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101582 tlogG= -0.582792 logG= -0.684375 Density= 3.498579 ETOT(band)= -1.769631 trlgG= -2.464570 logG= -0.684375 TDE= -4.587512 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101697 tlogG= -0.582287 logG= -0.683984 Density= 3.498820 ETOT(band)= -1.769034 trlgG= -2.464433 logG= -0.683984 TDE= -4.587959 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101306 tlogG= -0.589721 logG= -0.691027 Density= 3.497826 ETOT(band)= -1.774864 trlgG= -2.475981 logG= -0.691027 TDE= -4.591667 logGD-logG0= -0.101514 tlogG= -0.585174 logG= -0.686689 Density= 3.498603 ETOT(band)= -1.771168 trlgG= -2.467390 logG= -0.686689 TDE= -4.588038 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101434 tlogG= -0.585055 logG= -0.686489 Density= 3.498234 ETOT(band)= -1.771450 trlgG= -2.468191 logG= -0.686489 TDE= -4.588743 logGD-logG0= -0.101661 tlogG= -0.582871 logG= -0.684532 Density= 3.498996 ETOT(band)= -1.769312 trlgG= -2.463681 logG= -0.684532 TDE= -4.586801 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 Sum of eigenvalues= -1156.51368000364 eV TrLogG= -1610.67269429278 eV Ratio to renormalize= 1.000410032825 rho-rho_expected=-0.068857280815 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 24) Finished k-point number 25 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= 0.834708936636886 0.831838153612803 0.835126046035222 0.831750821955400 0.835293248311999 0.831672872751127 0.834959811919493 0.831727954177913 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101433 tlogG= -0.585321 logG= -0.686755 Density= 3.498396 ETOT(band)= -1.771534 trlgG= -2.467511 logG= -0.686755 TDE= -4.587926 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101334 tlogG= -0.585542 logG= -0.686875 Density= 3.498050 ETOT(band)= -1.772026 trlgG= -2.467945 logG= -0.686875 TDE= -4.587962 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101291 tlogG= -0.591420 logG= -0.692711 Density= 3.497689 ETOT(band)= -1.776140 trlgG= -2.479443 logG= -0.692711 TDE= -4.593335 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101982 tlogG= -0.578845 logG= -0.680826 Density= 3.499479 ETOT(band)= -1.766182 trlgG= -2.459073 logG= -0.680826 TDE= -4.586286 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101308 tlogG= -0.587533 logG= -0.688842 Density= 3.498062 ETOT(band)= -1.773271 trlgG= -2.471067 logG= -0.688842 TDE= -4.589128 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101485 tlogG= -0.583239 logG= -0.684723 Density= 3.498402 ETOT(band)= -1.770162 trlgG= -2.464484 logG= -0.684723 TDE= -4.586936 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101314 tlogG= -0.585539 logG= -0.686853 Density= 3.497933 ETOT(band)= -1.772105 trlgG= -2.468506 logG= -0.686853 TDE= -4.588451 logGD-logG0= -0.101162 tlogG= -0.590291 logG= -0.691453 Density= 3.497532 ETOT(band)= -1.775569 trlgG= -2.476421 logG= -0.691453 TDE= -4.591445 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101173 tlogG= -0.586188 logG= -0.687361 Density= 3.497763 ETOT(band)= -1.772763 trlgG= -2.467224 logG= -0.687361 TDE= -4.586525 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101146 tlogG= -0.588686 logG= -0.689833 Density= 3.497601 ETOT(band)= -1.774516 trlgG= -2.472943 logG= -0.689833 TDE= -4.589642 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101756 tlogG= -0.582417 logG= -0.684174 Density= 3.499155 ETOT(band)= -1.768857 trlgG= -2.463718 logG= -0.684174 TDE= -4.587323 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101103 tlogG= -0.592123 logG= -0.693226 Density= 3.497290 ETOT(band)= -1.777007 trlgG= -2.480047 logG= -0.693226 TDE= -4.593104 logGD-logG0= -0.101032 tlogG= -0.590833 logG= -0.691866 Density= 3.497314 ETOT(band)= -1.776176 trlgG= -2.476828 logG= -0.691866 TDE= -4.591264 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101265 tlogG= -0.587380 logG= -0.688645 Density= 3.497734 ETOT(band)= -1.773481 trlgG= -2.471865 logG= -0.688645 TDE= -4.589859 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101528 tlogG= -0.584833 logG= -0.686361 Density= 3.498561 ETOT(band)= -1.771002 trlgG= -2.467674 logG= -0.686361 TDE= -4.588615 logGD-logG0= -0.101306 tlogG= -0.589701 logG= -0.691007 Density= 3.497828 ETOT(band)= -1.774873 trlgG= -2.475971 logG= -0.691007 TDE= -4.591678 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100964 tlogG= -0.590983 logG= -0.691947 Density= 3.497089 ETOT(band)= -1.776522 trlgG= -2.477095 logG= -0.691947 TDE= -4.591269 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.100947 tlogG= -0.592789 logG= -0.693736 Density= 3.496999 ETOT(band)= -1.777789 trlgG= -2.480761 logG= -0.693736 TDE= -4.593074 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101393 tlogG= -0.587113 logG= -0.688506 Density= 3.498212 ETOT(band)= -1.772823 trlgG= -2.471022 logG= -0.688506 TDE= -4.589539 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101255 tlogG= -0.589809 logG= -0.691064 Density= 3.497635 ETOT(band)= -1.775146 trlgG= -2.476317 logG= -0.691064 TDE= -4.591813 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101223 tlogG= -0.587904 logG= -0.689127 Density= 3.497962 ETOT(band)= -1.773632 trlgG= -2.470829 logG= -0.689127 TDE= -4.588525 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101652 tlogG= -0.584322 logG= -0.685974 Density= 3.498815 ETOT(band)= -1.770411 trlgG= -2.467539 logG= -0.685974 TDE= -4.589072 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101661 tlogG= -0.582852 logG= -0.684513 Density= 3.498998 ETOT(band)= -1.769322 trlgG= -2.463672 logG= -0.684513 TDE= -4.586812 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101583 tlogG= -0.582773 logG= -0.684355 Density= 3.498580 ETOT(band)= -1.769641 trlgG= -2.464561 logG= -0.684355 TDE= -4.587523 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102859 tlogG= -0.573829 logG= -0.676688 Density= 3.501509 ETOT(band)= -1.760894 trlgG= -2.452036 logG= -0.676688 TDE= -4.585016 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.102157 tlogG= -0.578174 logG= -0.680331 Density= 3.499863 ETOT(band)= -1.765353 trlgG= -2.458229 logG= -0.680331 TDE= -4.586245 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101062 tlogG= -0.588259 logG= -0.689321 Density= 3.497403 ETOT(band)= -1.774451 trlgG= -2.471476 logG= -0.689321 TDE= -4.588529 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101891 tlogG= -0.580975 logG= -0.682866 Density= 3.499326 ETOT(band)= -1.767737 trlgG= -2.462186 logG= -0.682866 TDE= -4.587236 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101566 tlogG= -0.584499 logG= -0.686065 Density= 3.498508 ETOT(band)= -1.770824 trlgG= -2.468014 logG= -0.686065 TDE= -4.589209 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102621 tlogG= -0.574714 logG= -0.677335 Density= 3.500919 ETOT(band)= -1.762050 trlgG= -2.453155 logG= -0.677335 TDE= -4.585015 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101401 tlogG= -0.587573 logG= -0.688974 Density= 3.498099 ETOT(band)= -1.773232 trlgG= -2.472663 logG= -0.688974 TDE= -4.590620 logGD-logG0= -0.101434 tlogG= -0.585035 logG= -0.686470 Density= 3.498236 ETOT(band)= -1.771459 trlgG= -2.468182 logG= -0.686470 TDE= -4.588754 logGD-logG0= -0.102047 tlogG= -0.580326 logG= -0.682374 Density= 3.499691 ETOT(band)= -1.766938 trlgG= -2.461754 logG= -0.682374 TDE= -4.587589 logGD-logG0= -0.101406 tlogG= -0.585691 logG= -0.687097 Density= 3.498557 ETOT(band)= -1.771627 trlgG= -2.466297 logG= -0.687097 TDE= -4.586499 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101103 tlogG= -0.590420 logG= -0.691524 Density= 3.497322 ETOT(band)= -1.775880 trlgG= -2.476755 logG= -0.691524 TDE= -4.591540 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102433 tlogG= -0.577270 logG= -0.679703 Density= 3.500584 ETOT(band)= -1.764075 trlgG= -2.457101 logG= -0.679703 TDE= -4.586323 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102389 tlogG= -0.575559 logG= -0.677948 Density= 3.500382 ETOT(band)= -1.763130 trlgG= -2.454445 logG= -0.677948 TDE= -4.585261 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101451 tlogG= -0.585447 logG= -0.686898 Density= 3.498553 ETOT(band)= -1.771446 trlgG= -2.467047 logG= -0.686898 TDE= -4.587445 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101161 tlogG= -0.587848 logG= -0.689009 Density= 3.497545 ETOT(band)= -1.774013 trlgG= -2.471927 logG= -0.689009 TDE= -4.589405 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101698 tlogG= -0.582267 logG= -0.683965 Density= 3.498821 ETOT(band)= -1.769043 trlgG= -2.464424 logG= -0.683965 TDE= -4.587971 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101238 tlogG= -0.585890 logG= -0.687128 Density= 3.497812 ETOT(band)= -1.772480 trlgG= -2.468266 logG= -0.687128 TDE= -4.587840 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101515 tlogG= -0.585155 logG= -0.686670 Density= 3.498605 ETOT(band)= -1.771178 trlgG= -2.467381 logG= -0.686670 TDE= -4.588050 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101864 tlogG= -0.581950 logG= -0.683814 Density= 3.499377 ETOT(band)= -1.768323 trlgG= -2.463604 logG= -0.683814 TDE= -4.587747 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101265 tlogG= -0.588148 logG= -0.689413 Density= 3.497815 ETOT(band)= -1.773911 trlgG= -2.472963 logG= -0.689413 TDE= -4.590254 logGD-logG0= -0.101742 tlogG= -0.581567 logG= -0.683310 Density= 3.499019 ETOT(band)= -1.768445 trlgG= -2.462690 logG= -0.683310 TDE= -4.587050 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102069 tlogG= -0.578654 logG= -0.680723 Density= 3.499752 ETOT(band)= -1.765802 trlgG= -2.458681 logG= -0.680723 TDE= -4.586215 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102248 tlogG= -0.577995 logG= -0.680243 Density= 3.500142 ETOT(band)= -1.764988 trlgG= -2.457832 logG= -0.680243 TDE= -4.586161 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102340 tlogG= -0.577441 logG= -0.679780 Density= 3.500299 ETOT(band)= -1.764425 trlgG= -2.457460 logG= -0.679780 TDE= -4.586377 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Sum of eigenvalues= -1156.51990830836 eV TrLogG= -1610.66755738421 eV Ratio to renormalize= 1.000409592261 rho-rho_expected=-0.068783326668 nargs= 1 argi=dmft2.def 29) Finished k-point number 30 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 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= 105 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 0) Finished k-point number 1 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= 0.834704348940549 0.831833125222309 0.835121445315301 0.831745789576834 0.835288691294740 0.831667823339129 0.834955224314524 0.831722915931953 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101403 tlogG= -0.587383 logG= -0.688786 Density= 3.497601 ETOT(band)= -1.773576 trlgG= -2.472104 logG= -0.688786 TDE= -4.589850 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101361 tlogG= -0.587906 logG= -0.689267 Density= 3.497827 ETOT(band)= -1.773728 trlgG= -2.471070 logG= -0.689267 TDE= -4.588516 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101200 tlogG= -0.588261 logG= -0.689461 Density= 3.497270 ETOT(band)= -1.774547 trlgG= -2.471715 logG= -0.689461 TDE= -4.588520 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101880 tlogG= -0.581570 logG= -0.683450 Density= 3.498885 ETOT(band)= -1.768540 trlgG= -2.462928 logG= -0.683450 TDE= -4.587040 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101446 tlogG= -0.587536 logG= -0.688982 Density= 3.497927 ETOT(band)= -1.773367 trlgG= -2.471307 logG= -0.688982 TDE= -4.589119 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102295 tlogG= -0.578177 logG= -0.680472 Density= 3.499730 ETOT(band)= -1.765447 trlgG= -2.458468 logG= -0.680472 TDE= -4.586236 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101704 tlogG= -0.584502 logG= -0.686205 Density= 3.498375 ETOT(band)= -1.770918 trlgG= -2.468252 logG= -0.686205 TDE= -4.589200 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101170 tlogG= -0.590836 logG= -0.692006 Density= 3.497180 ETOT(band)= -1.776272 trlgG= -2.477067 logG= -0.692006 TDE= -4.591256 logGD-logG0= -0.101452 tlogG= -0.585541 logG= -0.686993 Density= 3.497800 ETOT(band)= -1.772200 trlgG= -2.468744 logG= -0.686993 TDE= -4.588442 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101085 tlogG= -0.592792 logG= -0.693877 Density= 3.496865 ETOT(band)= -1.777885 trlgG= -2.481000 logG= -0.693877 TDE= -4.593066 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101665 tlogG= -0.584836 logG= -0.686501 Density= 3.498426 ETOT(band)= -1.771098 trlgG= -2.467912 logG= -0.686501 TDE= -4.588606 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101310 tlogG= -0.586191 logG= -0.687501 Density= 3.497630 ETOT(band)= -1.772858 trlgG= -2.467462 logG= -0.687501 TDE= -4.586516 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101543 tlogG= -0.585694 logG= -0.687237 Density= 3.498421 ETOT(band)= -1.771724 trlgG= -2.466537 logG= -0.687237 TDE= -4.586490 logGD-logG0= -0.101721 tlogG= -0.582775 logG= -0.684496 Density= 3.498447 ETOT(band)= -1.769736 trlgG= -2.464799 logG= -0.684496 TDE= -4.587514 logGD-logG0= -0.101894 tlogG= -0.582420 logG= -0.684314 Density= 3.499020 ETOT(band)= -1.768953 trlgG= -2.463957 logG= -0.684314 TDE= -4.587314 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101471 tlogG= -0.585544 logG= -0.687016 Density= 3.497916 ETOT(band)= -1.772121 trlgG= -2.468183 logG= -0.687016 TDE= -4.587953 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101284 tlogG= -0.588689 logG= -0.689973 Density= 3.497466 ETOT(band)= -1.774612 trlgG= -2.473182 logG= -0.689973 TDE= -4.589633 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102120 tlogG= -0.578847 logG= -0.680967 Density= 3.499346 ETOT(band)= -1.766276 trlgG= -2.459311 logG= -0.680967 TDE= -4.586277 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101393 tlogG= -0.589812 logG= -0.691204 Density= 3.497503 ETOT(band)= -1.775241 trlgG= -2.476557 logG= -0.691204 TDE= -4.591805 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101789 tlogG= -0.584325 logG= -0.686114 Density= 3.498681 ETOT(band)= -1.770506 trlgG= -2.467778 logG= -0.686114 TDE= -4.589063 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101622 tlogG= -0.583241 logG= -0.684864 Density= 3.498269 ETOT(band)= -1.770257 trlgG= -2.464722 logG= -0.684864 TDE= -4.586926 logGD-logG0= -0.101799 tlogG= -0.582854 logG= -0.684653 Density= 3.498862 ETOT(band)= -1.769418 trlgG= -2.463911 logG= -0.684653 TDE= -4.586803 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102478 tlogG= -0.577443 logG= -0.679921 Density= 3.500167 ETOT(band)= -1.764519 trlgG= -2.457698 logG= -0.679921 TDE= -4.586368 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101571 tlogG= -0.585324 logG= -0.686895 Density= 3.498261 ETOT(band)= -1.771630 trlgG= -2.467750 logG= -0.686895 TDE= -4.587917 logGD-logG0= -0.102759 tlogG= -0.574717 logG= -0.677476 Density= 3.500787 ETOT(band)= -1.762143 trlgG= -2.453393 logG= -0.677476 TDE= -4.585006 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102997 tlogG= -0.573831 logG= -0.676829 Density= 3.501377 ETOT(band)= -1.760987 trlgG= -2.452274 logG= -0.676829 TDE= -4.585008 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102571 tlogG= -0.577273 logG= -0.679844 Density= 3.500451 ETOT(band)= -1.764169 trlgG= -2.457339 logG= -0.679844 TDE= -4.586314 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101299 tlogG= -0.587850 logG= -0.689149 Density= 3.497412 ETOT(band)= -1.774108 trlgG= -2.472165 logG= -0.689149 TDE= -4.589397 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102002 tlogG= -0.581953 logG= -0.683955 Density= 3.499243 ETOT(band)= -1.768418 trlgG= -2.463843 logG= -0.683955 TDE= -4.587738 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101102 tlogG= -0.590986 logG= -0.692088 Density= 3.496955 ETOT(band)= -1.776617 trlgG= -2.477334 logG= -0.692088 TDE= -4.591260 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102029 tlogG= -0.580977 logG= -0.683007 Density= 3.499192 ETOT(band)= -1.767832 trlgG= -2.462425 logG= -0.683007 TDE= -4.587227 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101652 tlogG= -0.585157 logG= -0.686810 Density= 3.498470 ETOT(band)= -1.771273 trlgG= -2.467620 logG= -0.686810 TDE= -4.588040 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101589 tlogG= -0.585449 logG= -0.687038 Density= 3.498417 ETOT(band)= -1.771542 trlgG= -2.467286 logG= -0.687038 TDE= -4.587435 logGD-logG0= -0.101539 tlogG= -0.587575 logG= -0.689115 Density= 3.497966 ETOT(band)= -1.773326 trlgG= -2.472901 logG= -0.689115 TDE= -4.590611 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101429 tlogG= -0.591423 logG= -0.692852 Density= 3.497557 ETOT(band)= -1.776235 trlgG= -2.479682 logG= -0.692852 TDE= -4.593328 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101403 tlogG= -0.588150 logG= -0.689553 Density= 3.497681 ETOT(band)= -1.774006 trlgG= -2.473201 logG= -0.689553 TDE= -4.590245 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101300 tlogG= -0.590293 logG= -0.691594 Density= 3.497399 ETOT(band)= -1.775664 trlgG= -2.476661 logG= -0.691594 TDE= -4.591437 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102207 tlogG= -0.578657 logG= -0.680864 Density= 3.499618 ETOT(band)= -1.765897 trlgG= -2.458919 logG= -0.680864 TDE= -4.586206 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101572 tlogG= -0.585038 logG= -0.686610 Density= 3.498102 ETOT(band)= -1.771554 trlgG= -2.468421 logG= -0.686610 TDE= -4.588745 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101444 tlogG= -0.589704 logG= -0.691148 Density= 3.497695 ETOT(band)= -1.774968 trlgG= -2.476210 logG= -0.691148 TDE= -4.591670 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101531 tlogG= -0.587116 logG= -0.688646 Density= 3.498078 ETOT(band)= -1.772918 trlgG= -2.471261 logG= -0.688646 TDE= -4.589530 logGD-logG0= -0.102386 tlogG= -0.577998 logG= -0.680383 Density= 3.500008 ETOT(band)= -1.765083 trlgG= -2.458071 logG= -0.680383 TDE= -4.586152 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101241 tlogG= -0.590423 logG= -0.691664 Density= 3.497189 ETOT(band)= -1.775975 trlgG= -2.476995 logG= -0.691664 TDE= -4.591532 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102185 tlogG= -0.580329 logG= -0.682514 Density= 3.499558 ETOT(band)= -1.767032 trlgG= -2.461992 logG= -0.682514 TDE= -4.587580 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101836 tlogG= -0.582270 logG= -0.684106 Density= 3.498688 ETOT(band)= -1.769138 trlgG= -2.464662 logG= -0.684106 TDE= -4.587962 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101241 tlogG= -0.592126 logG= -0.693367 Density= 3.497157 ETOT(band)= -1.777102 trlgG= -2.480287 logG= -0.693367 TDE= -4.593096 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102527 tlogG= -0.575562 logG= -0.678089 Density= 3.500249 ETOT(band)= -1.763224 trlgG= -2.454683 logG= -0.678089 TDE= -4.585251 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101376 tlogG= -0.585893 logG= -0.687269 Density= 3.497679 ETOT(band)= -1.772575 trlgG= -2.468505 logG= -0.687269 TDE= -4.587830 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 Sum of eigenvalues= -1156.58198361993 eV TrLogG= -1610.75344362139 eV Ratio to renormalize= 1.000447797694 rho-rho_expected=-0.075196339874 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 40) Finished k-point number 41 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= 105 0) Finished k-point number 1 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834724917018002 0.831855243103652 0.835142068226904 0.831767902899365 0.835309071896987 0.831690031942058 0.834975756986685 0.831745068668222 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101181 tlogG= -0.590825 logG= -0.692006 Density= 3.497206 ETOT(band)= -1.776273 trlgG= -2.477069 logG= -0.692006 TDE= -4.591278 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101321 tlogG= -0.586181 logG= -0.687502 Density= 3.497656 ETOT(band)= -1.772860 trlgG= -2.467467 logG= -0.687502 TDE= -4.586541 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102131 tlogG= -0.578837 logG= -0.680967 Density= 3.499372 ETOT(band)= -1.766278 trlgG= -2.459318 logG= -0.680967 TDE= -4.586305 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101891 tlogG= -0.581559 logG= -0.683450 Density= 3.498911 ETOT(band)= -1.768542 trlgG= -2.462935 logG= -0.683450 TDE= -4.587068 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101310 tlogG= -0.587840 logG= -0.689149 Density= 3.497438 ETOT(band)= -1.774110 trlgG= -2.472169 logG= -0.689149 TDE= -4.589421 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101404 tlogG= -0.589801 logG= -0.691205 Density= 3.497529 ETOT(band)= -1.775242 trlgG= -2.476555 logG= -0.691205 TDE= -4.591825 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102041 tlogG= -0.580967 logG= -0.683007 Density= 3.499219 ETOT(band)= -1.767833 trlgG= -2.462429 logG= -0.683007 TDE= -4.587252 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101482 tlogG= -0.585534 logG= -0.687016 Density= 3.497942 ETOT(band)= -1.772123 trlgG= -2.468189 logG= -0.687016 TDE= -4.587979 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102306 tlogG= -0.578166 logG= -0.680472 Density= 3.499757 ETOT(band)= -1.765449 trlgG= -2.458471 logG= -0.680472 TDE= -4.586260 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101113 tlogG= -0.590975 logG= -0.692088 Density= 3.496981 ETOT(band)= -1.776619 trlgG= -2.477335 logG= -0.692088 TDE= -4.591283 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101414 tlogG= -0.587372 logG= -0.688786 Density= 3.497628 ETOT(band)= -1.773578 trlgG= -2.472108 logG= -0.688786 TDE= -4.589875 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101096 tlogG= -0.592780 logG= -0.693876 Density= 3.496892 ETOT(band)= -1.777886 trlgG= -2.481001 logG= -0.693876 TDE= -4.593088 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101633 tlogG= -0.583231 logG= -0.684864 Density= 3.498295 ETOT(band)= -1.770259 trlgG= -2.464729 logG= -0.684864 TDE= -4.586954 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101252 tlogG= -0.590412 logG= -0.691664 Density= 3.497215 ETOT(band)= -1.775976 trlgG= -2.476995 logG= -0.691664 TDE= -4.591554 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102197 tlogG= -0.580318 logG= -0.682515 Density= 3.499585 ETOT(band)= -1.767033 trlgG= -2.461996 logG= -0.682515 TDE= -4.587605 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101440 tlogG= -0.591411 logG= -0.692851 Density= 3.497584 ETOT(band)= -1.776235 trlgG= -2.479679 logG= -0.692851 TDE= -4.593346 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101583 tlogG= -0.585027 logG= -0.686610 Density= 3.498128 ETOT(band)= -1.771556 trlgG= -2.468425 logG= -0.686610 TDE= -4.588770 logGD-logG0= -0.101372 tlogG= -0.587896 logG= -0.689268 Density= 3.497853 ETOT(band)= -1.773730 trlgG= -2.471072 logG= -0.689268 TDE= -4.588539 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101676 tlogG= -0.584825 logG= -0.686501 Density= 3.498453 ETOT(band)= -1.771100 trlgG= -2.467917 logG= -0.686501 TDE= -4.588631 logGD-logG0= -0.101252 tlogG= -0.592115 logG= -0.693367 Density= 3.497184 ETOT(band)= -1.777103 trlgG= -2.480286 logG= -0.693367 TDE= -4.593116 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101457 tlogG= -0.587525 logG= -0.688982 Density= 3.497953 ETOT(band)= -1.773369 trlgG= -2.471311 logG= -0.688982 TDE= -4.589143 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101600 tlogG= -0.585439 logG= -0.687039 Density= 3.498444 ETOT(band)= -1.771544 trlgG= -2.467293 logG= -0.687039 TDE= -4.587462 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101905 tlogG= -0.582410 logG= -0.684314 Density= 3.499046 ETOT(band)= -1.768955 trlgG= -2.463962 logG= -0.684314 TDE= -4.587340 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101463 tlogG= -0.585531 logG= -0.686994 Density= 3.497826 ETOT(band)= -1.772202 trlgG= -2.468749 logG= -0.686994 TDE= -4.588467 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101414 tlogG= -0.588139 logG= -0.689553 Density= 3.497708 ETOT(band)= -1.774008 trlgG= -2.473205 logG= -0.689553 TDE= -4.590270 logGD-logG0= -0.103009 tlogG= -0.573820 logG= -0.676829 Density= 3.501404 ETOT(band)= -1.760989 trlgG= -2.452276 logG= -0.676829 TDE= -4.585031 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102770 tlogG= -0.574706 logG= -0.677476 Density= 3.500813 ETOT(band)= -1.762145 trlgG= -2.453397 logG= -0.677476 TDE= -4.585031 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.101731 tlogG= -0.582765 logG= -0.684496 Density= 3.498473 ETOT(band)= -1.769738 trlgG= -2.464804 logG= -0.684496 TDE= -4.587540 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101847 tlogG= -0.582259 logG= -0.684106 Density= 3.498715 ETOT(band)= -1.769139 trlgG= -2.464667 logG= -0.684106 TDE= -4.587987 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101295 tlogG= -0.588678 logG= -0.689973 Density= 3.497493 ETOT(band)= -1.774613 trlgG= -2.473186 logG= -0.689973 TDE= -4.589658 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102538 tlogG= -0.575551 logG= -0.678089 Density= 3.500276 ETOT(band)= -1.763226 trlgG= -2.454690 logG= -0.678089 TDE= -4.585279 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101542 tlogG= -0.587105 logG= -0.688647 Density= 3.498104 ETOT(band)= -1.772920 trlgG= -2.471265 logG= -0.688647 TDE= -4.589554 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101801 tlogG= -0.584314 logG= -0.686114 Density= 3.498708 ETOT(band)= -1.770507 trlgG= -2.467782 logG= -0.686114 TDE= -4.589088 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101582 tlogG= -0.585313 logG= -0.686895 Density= 3.498287 ETOT(band)= -1.771632 trlgG= -2.467756 logG= -0.686895 TDE= -4.587943 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101311 tlogG= -0.590282 logG= -0.691594 Density= 3.497425 ETOT(band)= -1.775666 trlgG= -2.476661 logG= -0.691594 TDE= -4.591458 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101810 tlogG= -0.582844 logG= -0.684654 Density= 3.498888 ETOT(band)= -1.769420 trlgG= -2.463919 logG= -0.684654 TDE= -4.586830 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101387 tlogG= -0.585882 logG= -0.687269 Density= 3.497705 ETOT(band)= -1.772577 trlgG= -2.468509 logG= -0.687269 TDE= -4.587856 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101551 tlogG= -0.587564 logG= -0.689115 Density= 3.497992 ETOT(band)= -1.773328 trlgG= -2.472904 logG= -0.689115 TDE= -4.590636 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101554 tlogG= -0.585684 logG= -0.687238 Density= 3.498447 ETOT(band)= -1.771726 trlgG= -2.466543 logG= -0.687238 TDE= -4.586516 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.102218 tlogG= -0.578646 logG= -0.680864 Density= 3.499644 ETOT(band)= -1.765899 trlgG= -2.458926 logG= -0.680864 TDE= -4.586234 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102013 tlogG= -0.581942 logG= -0.683955 Density= 3.499269 ETOT(band)= -1.768420 trlgG= -2.463847 logG= -0.683955 TDE= -4.587763 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102582 tlogG= -0.577262 logG= -0.679844 Density= 3.500478 ETOT(band)= -1.764171 trlgG= -2.457342 logG= -0.679844 TDE= -4.586338 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101715 tlogG= -0.584491 logG= -0.686206 Density= 3.498402 ETOT(band)= -1.770920 trlgG= -2.468256 logG= -0.686206 TDE= -4.589225 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102489 tlogG= -0.577432 logG= -0.679921 Density= 3.500194 ETOT(band)= -1.764520 trlgG= -2.457701 logG= -0.679921 TDE= -4.586392 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102397 tlogG= -0.577987 logG= -0.680384 Density= 3.500035 ETOT(band)= -1.765085 trlgG= -2.458074 logG= -0.680384 TDE= -4.586176 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101211 tlogG= -0.588251 logG= -0.689462 Density= 3.497296 ETOT(band)= -1.774549 trlgG= -2.471719 logG= -0.689462 TDE= -4.588544 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101663 tlogG= -0.585147 logG= -0.686810 Density= 3.498496 ETOT(band)= -1.771275 trlgG= -2.467626 logG= -0.686810 TDE= -4.588067 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101455 tlogG= -0.589693 logG= -0.691148 Density= 3.497722 ETOT(band)= -1.774969 trlgG= -2.476209 logG= -0.691148 TDE= -4.591690 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.58309721164 eV TrLogG= -1610.76971934342 eV Ratio to renormalize= 1.000440246812 rho-rho_expected=-0.073928917370 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 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= 104 34) Finished k-point number 35 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 16) Finished k-point number 17 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= 105 45) Finished k-point number 46 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834726037359583 0.831856414752780 0.835143187474068 0.831769075044552 0.835310183044259 0.831691209179592 0.834976874747933 0.831746244391433 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101457 tlogG= -0.587523 logG= -0.688981 Density= 3.497955 ETOT(band)= -1.773369 trlgG= -2.471309 logG= -0.688981 TDE= -4.589144 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101097 tlogG= -0.592779 logG= -0.693875 Density= 3.496893 ETOT(band)= -1.777886 trlgG= -2.481000 logG= -0.693875 TDE= -4.593089 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102307 tlogG= -0.578164 logG= -0.680471 Density= 3.499758 ETOT(band)= -1.765449 trlgG= -2.458469 logG= -0.680471 TDE= -4.586261 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101677 tlogG= -0.584823 logG= -0.686500 Density= 3.498454 ETOT(band)= -1.771100 trlgG= -2.467916 logG= -0.686500 TDE= -4.588632 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102131 tlogG= -0.578835 logG= -0.680966 Density= 3.499373 ETOT(band)= -1.766278 trlgG= -2.459317 logG= -0.680966 TDE= -4.586306 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101584 tlogG= -0.585025 logG= -0.686609 Density= 3.498130 ETOT(band)= -1.771556 trlgG= -2.468424 logG= -0.686609 TDE= -4.588771 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101440 tlogG= -0.591409 logG= -0.692850 Density= 3.497585 ETOT(band)= -1.776235 trlgG= -2.479677 logG= -0.692850 TDE= -4.593347 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101296 tlogG= -0.588676 logG= -0.689972 Density= 3.497494 ETOT(band)= -1.774613 trlgG= -2.473184 logG= -0.689972 TDE= -4.589659 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101414 tlogG= -0.587370 logG= -0.688785 Density= 3.497629 ETOT(band)= -1.773578 trlgG= -2.472106 logG= -0.688785 TDE= -4.589876 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101322 tlogG= -0.586179 logG= -0.687500 Density= 3.497657 ETOT(band)= -1.772860 trlgG= -2.467466 logG= -0.687500 TDE= -4.586542 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101372 tlogG= -0.587894 logG= -0.689266 Density= 3.497854 ETOT(band)= -1.773730 trlgG= -2.471071 logG= -0.689266 TDE= -4.588540 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101483 tlogG= -0.585532 logG= -0.687015 Density= 3.497943 ETOT(band)= -1.772123 trlgG= -2.468188 logG= -0.687015 TDE= -4.587980 logGD-logG0= -0.101181 tlogG= -0.590823 logG= -0.692005 Density= 3.497208 ETOT(band)= -1.776273 trlgG= -2.477067 logG= -0.692005 TDE= -4.591279 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102489 tlogG= -0.577431 logG= -0.679920 Density= 3.500195 ETOT(band)= -1.764520 trlgG= -2.457699 logG= -0.679920 TDE= -4.586393 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101892 tlogG= -0.581557 logG= -0.683449 Density= 3.498912 ETOT(band)= -1.768541 trlgG= -2.462933 logG= -0.683449 TDE= -4.587069 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101252 tlogG= -0.592113 logG= -0.693365 Density= 3.497185 ETOT(band)= -1.777103 trlgG= -2.480284 logG= -0.693365 TDE= -4.593117 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102013 tlogG= -0.581940 logG= -0.683954 Density= 3.499270 ETOT(band)= -1.768420 trlgG= -2.463846 logG= -0.683954 TDE= -4.587764 logGD-logG0= -0.101634 tlogG= -0.583229 logG= -0.684863 Density= 3.498296 ETOT(band)= -1.770259 trlgG= -2.464727 logG= -0.684863 TDE= -4.586955 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101715 tlogG= -0.584489 logG= -0.686204 Density= 3.498403 ETOT(band)= -1.770920 trlgG= -2.468255 logG= -0.686204 TDE= -4.589226 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102041 tlogG= -0.580965 logG= -0.683006 Density= 3.499220 ETOT(band)= -1.767833 trlgG= -2.462427 logG= -0.683006 TDE= -4.587253 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101404 tlogG= -0.589799 logG= -0.691203 Density= 3.497530 ETOT(band)= -1.775241 trlgG= -2.476554 logG= -0.691203 TDE= -4.591826 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102583 tlogG= -0.577260 logG= -0.679843 Density= 3.500479 ETOT(band)= -1.764171 trlgG= -2.457341 logG= -0.679843 TDE= -4.586339 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101464 tlogG= -0.585529 logG= -0.686993 Density= 3.497827 ETOT(band)= -1.772201 trlgG= -2.468747 logG= -0.686993 TDE= -4.588468 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101732 tlogG= -0.582763 logG= -0.684495 Density= 3.498475 ETOT(band)= -1.769738 trlgG= -2.464802 logG= -0.684495 TDE= -4.587541 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101664 tlogG= -0.585145 logG= -0.686809 Density= 3.498498 ETOT(band)= -1.771275 trlgG= -2.467625 logG= -0.686809 TDE= -4.588068 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101312 tlogG= -0.590281 logG= -0.691592 Density= 3.497426 ETOT(band)= -1.775666 trlgG= -2.476659 logG= -0.691592 TDE= -4.591459 logGD-logG0= -0.101600 tlogG= -0.585437 logG= -0.687037 Density= 3.498445 ETOT(band)= -1.771544 trlgG= -2.467292 logG= -0.687037 TDE= -4.587463 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101847 tlogG= -0.582257 logG= -0.684105 Density= 3.498716 ETOT(band)= -1.769139 trlgG= -2.464665 logG= -0.684105 TDE= -4.587988 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101114 tlogG= -0.590973 logG= -0.692087 Density= 3.496983 ETOT(band)= -1.776618 trlgG= -2.477334 logG= -0.692087 TDE= -4.591283 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102397 tlogG= -0.577985 logG= -0.680382 Density= 3.500036 ETOT(band)= -1.765085 trlgG= -2.458073 logG= -0.680382 TDE= -4.586177 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101551 tlogG= -0.587562 logG= -0.689113 Density= 3.497994 ETOT(band)= -1.773328 trlgG= -2.472903 logG= -0.689113 TDE= -4.590637 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102539 tlogG= -0.575549 logG= -0.678088 Density= 3.500277 ETOT(band)= -1.763226 trlgG= -2.454689 logG= -0.678088 TDE= -4.585280 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101211 tlogG= -0.588249 logG= -0.689460 Density= 3.497297 ETOT(band)= -1.774549 trlgG= -2.471717 logG= -0.689460 TDE= -4.588545 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102218 tlogG= -0.578645 logG= -0.680863 Density= 3.499645 ETOT(band)= -1.765899 trlgG= -2.458925 logG= -0.680863 TDE= -4.586235 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101310 tlogG= -0.587838 logG= -0.689148 Density= 3.497439 ETOT(band)= -1.774110 trlgG= -2.472168 logG= -0.689148 TDE= -4.589422 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101456 tlogG= -0.589691 logG= -0.691146 Density= 3.497723 ETOT(band)= -1.774969 trlgG= -2.476207 logG= -0.691146 TDE= -4.591691 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101905 tlogG= -0.582408 logG= -0.684313 Density= 3.499047 ETOT(band)= -1.768955 trlgG= -2.463961 logG= -0.684313 TDE= -4.587341 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101414 tlogG= -0.588138 logG= -0.689552 Density= 3.497709 ETOT(band)= -1.774008 trlgG= -2.473204 logG= -0.689552 TDE= -4.590271 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102771 tlogG= -0.574704 logG= -0.677475 Density= 3.500815 ETOT(band)= -1.762145 trlgG= -2.453395 logG= -0.677475 TDE= -4.585032 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101583 tlogG= -0.585311 logG= -0.686894 Density= 3.498288 ETOT(band)= -1.771631 trlgG= -2.467754 logG= -0.686894 TDE= -4.587944 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101801 tlogG= -0.584312 logG= -0.686113 Density= 3.498709 ETOT(band)= -1.770507 trlgG= -2.467780 logG= -0.686113 TDE= -4.589089 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101555 tlogG= -0.585682 logG= -0.687237 Density= 3.498448 ETOT(band)= -1.771726 trlgG= -2.466542 logG= -0.687237 TDE= -4.586517 logGD-logG0= -0.101542 tlogG= -0.587103 logG= -0.688645 Density= 3.498105 ETOT(band)= -1.772920 trlgG= -2.471263 logG= -0.688645 TDE= -4.589555 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.103009 tlogG= -0.573818 logG= -0.676827 Density= 3.501405 ETOT(band)= -1.760988 trlgG= -2.452275 logG= -0.676827 TDE= -4.585032 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.101253 tlogG= -0.590410 logG= -0.691663 Density= 3.497217 ETOT(band)= -1.775976 trlgG= -2.476993 logG= -0.691663 TDE= -4.591554 logGD-logG0= -0.102197 tlogG= -0.580316 logG= -0.682513 Density= 3.499586 ETOT(band)= -1.767033 trlgG= -2.461995 logG= -0.682513 TDE= -4.587606 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101387 tlogG= -0.585880 logG= -0.687268 Density= 3.497706 ETOT(band)= -1.772577 trlgG= -2.468508 logG= -0.687268 TDE= -4.587857 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101810 tlogG= -0.582842 logG= -0.684652 Density= 3.498889 ETOT(band)= -1.769420 trlgG= -2.463917 logG= -0.684652 TDE= -4.586831 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 Sum of eigenvalues= -1156.58300687504 eV TrLogG= -1610.76942133948 eV Ratio to renormalize= 1.000439904661 rho-rho_expected=-0.073871486675 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 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 10) Finished k-point number 11 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 6) Finished k-point number 7 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 44) Finished k-point number 45 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834726929945725 0.831857355807066 0.835144097641364 0.831770007904417 0.835311066592537 0.831692153999066 0.834977765446959 0.831747186836276 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101468 tlogG= -0.585528 logG= -0.686995 Density= 3.497884 ETOT(band)= -1.772155 trlgG= -2.468706 logG= -0.686995 TDE= -4.588470 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101681 tlogG= -0.584822 logG= -0.686503 Density= 3.498512 ETOT(band)= -1.771052 trlgG= -2.467873 logG= -0.686503 TDE= -4.588633 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101376 tlogG= -0.587893 logG= -0.689269 Density= 3.497912 ETOT(band)= -1.773683 trlgG= -2.471028 logG= -0.689269 TDE= -4.588541 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102135 tlogG= -0.578834 logG= -0.680969 Density= 3.499432 ETOT(band)= -1.766230 trlgG= -2.459274 logG= -0.680969 TDE= -4.586307 logGD-logG0= -0.101257 tlogG= -0.590409 logG= -0.691665 Density= 3.497272 ETOT(band)= -1.775930 trlgG= -2.476952 logG= -0.691665 TDE= -4.591555 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101461 tlogG= -0.587522 logG= -0.688984 Density= 3.498012 ETOT(band)= -1.773322 trlgG= -2.471267 logG= -0.688984 TDE= -4.589146 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102311 tlogG= -0.578163 logG= -0.680474 Density= 3.499817 ETOT(band)= -1.765400 trlgG= -2.458426 logG= -0.680474 TDE= -4.586262 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101100 tlogG= -0.592777 logG= -0.693878 Density= 3.496948 ETOT(band)= -1.777840 trlgG= -2.480959 logG= -0.693878 TDE= -4.593090 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101408 tlogG= -0.589798 logG= -0.691206 Density= 3.497587 ETOT(band)= -1.775195 trlgG= -2.476512 logG= -0.691206 TDE= -4.591827 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101326 tlogG= -0.586178 logG= -0.687503 Density= 3.497714 ETOT(band)= -1.772813 trlgG= -2.467424 logG= -0.687503 TDE= -4.586543 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101487 tlogG= -0.585531 logG= -0.687017 Density= 3.498000 ETOT(band)= -1.772077 trlgG= -2.468146 logG= -0.687017 TDE= -4.587981 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101300 tlogG= -0.588675 logG= -0.689975 Density= 3.497551 ETOT(band)= -1.774567 trlgG= -2.473143 logG= -0.689975 TDE= -4.589660 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102017 tlogG= -0.581939 logG= -0.683957 Density= 3.499329 ETOT(band)= -1.768372 trlgG= -2.463802 logG= -0.683957 TDE= -4.587765 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101185 tlogG= -0.590822 logG= -0.692007 Density= 3.497264 ETOT(band)= -1.776227 trlgG= -2.477026 logG= -0.692007 TDE= -4.591280 logGD-logG0= -0.102543 tlogG= -0.575548 logG= -0.678091 Density= 3.500337 ETOT(band)= -1.763177 trlgG= -2.454645 logG= -0.678091 TDE= -4.585282 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101638 tlogG= -0.583228 logG= -0.684866 Density= 3.498354 ETOT(band)= -1.770212 trlgG= -2.464686 logG= -0.684866 TDE= -4.586956 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102045 tlogG= -0.580964 logG= -0.683009 Density= 3.499279 ETOT(band)= -1.767785 trlgG= -2.462384 logG= -0.683009 TDE= -4.587254 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101215 tlogG= -0.588248 logG= -0.689463 Density= 3.497353 ETOT(band)= -1.774503 trlgG= -2.471676 logG= -0.689463 TDE= -4.588546 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101604 tlogG= -0.585436 logG= -0.687040 Density= 3.498504 ETOT(band)= -1.771496 trlgG= -2.467248 logG= -0.687040 TDE= -4.587465 logGD-logG0= -0.101668 tlogG= -0.585144 logG= -0.686812 Density= 3.498556 ETOT(band)= -1.771228 trlgG= -2.467583 logG= -0.686812 TDE= -4.588069 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101459 tlogG= -0.589690 logG= -0.691149 Density= 3.497780 ETOT(band)= -1.774923 trlgG= -2.476166 logG= -0.691149 TDE= -4.591692 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101587 tlogG= -0.585310 logG= -0.686897 Density= 3.498346 ETOT(band)= -1.771584 trlgG= -2.467712 logG= -0.686897 TDE= -4.587945 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101444 tlogG= -0.591408 logG= -0.692853 Density= 3.497642 ETOT(band)= -1.776189 trlgG= -2.479635 logG= -0.692853 TDE= -4.593348 logGD-logG0= -0.101546 tlogG= -0.587102 logG= -0.688648 Density= 3.498163 ETOT(band)= -1.772873 trlgG= -2.471221 logG= -0.688648 TDE= -4.589556 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101736 tlogG= -0.582762 logG= -0.684498 Density= 3.498532 ETOT(band)= -1.769691 trlgG= -2.464760 logG= -0.684498 TDE= -4.587542 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101805 tlogG= -0.584311 logG= -0.686116 Density= 3.498767 ETOT(band)= -1.770460 trlgG= -2.467738 logG= -0.686116 TDE= -4.589090 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101851 tlogG= -0.582256 logG= -0.684107 Density= 3.498774 ETOT(band)= -1.769092 trlgG= -2.464623 logG= -0.684107 TDE= -4.587989 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102493 tlogG= -0.577429 logG= -0.679923 Density= 3.500255 ETOT(band)= -1.764471 trlgG= -2.457655 logG= -0.679923 TDE= -4.586394 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101418 tlogG= -0.587369 logG= -0.688788 Density= 3.497685 ETOT(band)= -1.773532 trlgG= -2.472065 logG= -0.688788 TDE= -4.589877 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102401 tlogG= -0.577984 logG= -0.680385 Density= 3.500096 ETOT(band)= -1.765036 trlgG= -2.458029 logG= -0.680385 TDE= -4.586178 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102775 tlogG= -0.574703 logG= -0.677478 Density= 3.500876 ETOT(band)= -1.762095 trlgG= -2.453351 logG= -0.677478 TDE= -4.585033 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101896 tlogG= -0.581556 logG= -0.683452 Density= 3.498971 ETOT(band)= -1.768494 trlgG= -2.462891 logG= -0.683452 TDE= -4.587070 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102201 tlogG= -0.580315 logG= -0.682516 Density= 3.499645 ETOT(band)= -1.766985 trlgG= -2.461951 logG= -0.682516 TDE= -4.587607 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101555 tlogG= -0.587561 logG= -0.689116 Density= 3.498051 ETOT(band)= -1.773281 trlgG= -2.472861 logG= -0.689116 TDE= -4.590638 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101909 tlogG= -0.582407 logG= -0.684316 Density= 3.499107 ETOT(band)= -1.768906 trlgG= -2.463917 logG= -0.684316 TDE= -4.587342 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.103013 tlogG= -0.573817 logG= -0.676831 Density= 3.501468 ETOT(band)= -1.760938 trlgG= -2.452229 logG= -0.676831 TDE= -4.585033 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101559 tlogG= -0.585681 logG= -0.687240 Density= 3.498508 ETOT(band)= -1.771678 trlgG= -2.466498 logG= -0.687240 TDE= -4.586518 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101391 tlogG= -0.585879 logG= -0.687271 Density= 3.497763 ETOT(band)= -1.772530 trlgG= -2.468467 logG= -0.687271 TDE= -4.587858 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101256 tlogG= -0.592112 logG= -0.693368 Density= 3.497241 ETOT(band)= -1.777057 trlgG= -2.480243 logG= -0.693368 TDE= -4.593118 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101314 tlogG= -0.587837 logG= -0.689151 Density= 3.497495 ETOT(band)= -1.774064 trlgG= -2.472127 logG= -0.689151 TDE= -4.589423 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102222 tlogG= -0.578644 logG= -0.680866 Density= 3.499705 ETOT(band)= -1.765850 trlgG= -2.458881 logG= -0.680866 TDE= -4.586236 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101588 tlogG= -0.585024 logG= -0.686612 Density= 3.498187 ETOT(band)= -1.771509 trlgG= -2.468382 logG= -0.686612 TDE= -4.588772 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101418 tlogG= -0.588136 logG= -0.689555 Density= 3.497766 ETOT(band)= -1.773962 trlgG= -2.473162 logG= -0.689555 TDE= -4.590272 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102587 tlogG= -0.577259 logG= -0.679846 Density= 3.500540 ETOT(band)= -1.764121 trlgG= -2.457296 logG= -0.679846 TDE= -4.586340 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101719 tlogG= -0.584488 logG= -0.686207 Density= 3.498460 ETOT(band)= -1.770873 trlgG= -2.468213 logG= -0.686207 TDE= -4.589227 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101316 tlogG= -0.590279 logG= -0.691595 Density= 3.497483 ETOT(band)= -1.775620 trlgG= -2.476618 logG= -0.691595 TDE= -4.591460 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101814 tlogG= -0.582841 logG= -0.684655 Density= 3.498949 ETOT(band)= -1.769371 trlgG= -2.463874 logG= -0.684655 TDE= -4.586833 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101117 tlogG= -0.590972 logG= -0.692089 Density= 3.497038 ETOT(band)= -1.776574 trlgG= -2.477293 logG= -0.692089 TDE= -4.591284 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 Sum of eigenvalues= -1156.55218300359 eV TrLogG= -1610.77203509041 eV Ratio to renormalize= 1.000423358683 rho-rho_expected=-0.071094160492 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 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= 104 7) Finished k-point number 8 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 44) Finished k-point number 45 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= 105 14) Finished k-point number 15 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 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= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834727026186233 0.831857549732223 0.835144198290857 0.831770199851222 0.835311162251751 0.831692348947048 0.834977862591985 0.831747381658050 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101185 tlogG= -0.590821 logG= -0.692007 Density= 3.497264 ETOT(band)= -1.776227 trlgG= -2.477024 logG= -0.692007 TDE= -4.591280 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101461 tlogG= -0.587521 logG= -0.688983 Density= 3.498012 ETOT(band)= -1.773321 trlgG= -2.471265 logG= -0.688983 TDE= -4.589145 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101326 tlogG= -0.586177 logG= -0.687503 Density= 3.497714 ETOT(band)= -1.772812 trlgG= -2.467423 logG= -0.687503 TDE= -4.586543 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101215 tlogG= -0.588247 logG= -0.689462 Density= 3.497353 ETOT(band)= -1.774502 trlgG= -2.471675 logG= -0.689462 TDE= -4.588545 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102017 tlogG= -0.581938 logG= -0.683956 Density= 3.499330 ETOT(band)= -1.768371 trlgG= -2.463801 logG= -0.683956 TDE= -4.587764 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101300 tlogG= -0.588674 logG= -0.689974 Density= 3.497551 ETOT(band)= -1.774566 trlgG= -2.473141 logG= -0.689974 TDE= -4.589659 logGD-logG0= -0.101668 tlogG= -0.585143 logG= -0.686811 Density= 3.498556 ETOT(band)= -1.771227 trlgG= -2.467581 logG= -0.686811 TDE= -4.588068 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101555 tlogG= -0.587560 logG= -0.689115 Density= 3.498051 ETOT(band)= -1.773280 trlgG= -2.472860 logG= -0.689115 TDE= -4.590637 logGD-logG0= -0.101896 tlogG= -0.581555 logG= -0.683451 Density= 3.498971 ETOT(band)= -1.768493 trlgG= -2.462889 logG= -0.683451 TDE= -4.587070 logGD-logG0= -0.101408 tlogG= -0.589797 logG= -0.691205 Density= 3.497587 ETOT(band)= -1.775195 trlgG= -2.476511 logG= -0.691205 TDE= -4.591826 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101468 tlogG= -0.585527 logG= -0.686995 Density= 3.497884 ETOT(band)= -1.772155 trlgG= -2.468704 logG= -0.686995 TDE= -4.588469 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101101 tlogG= -0.592776 logG= -0.693877 logGD-logG0= -0.101638 tlogG= -0.583227 logG= -0.684865 Density= 3.496948 ETOT(band)= -1.777840 trlgG= -2.480958 logG= -0.693877 TDE= -4.593089 Density= 3.498354 ETOT(band)= -1.770212 trlgG= -2.464684 logG= -0.684865 TDE= -4.586955 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101376 tlogG= -0.587892 logG= -0.689268 Density= 3.497912 ETOT(band)= -1.773682 trlgG= -2.471027 logG= -0.689268 TDE= -4.588541 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102135 tlogG= -0.578833 logG= -0.680968 Density= 3.499432 ETOT(band)= -1.766230 trlgG= -2.459273 logG= -0.680968 TDE= -4.586306 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101257 tlogG= -0.592111 logG= -0.693367 Density= 3.497241 ETOT(band)= -1.777057 trlgG= -2.480242 logG= -0.693367 TDE= -4.593117 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102401 tlogG= -0.577983 logG= -0.680384 Density= 3.500096 ETOT(band)= -1.765035 trlgG= -2.458027 logG= -0.680384 TDE= -4.586177 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101851 tlogG= -0.582255 logG= -0.684107 Density= 3.498774 ETOT(band)= -1.769091 trlgG= -2.464621 logG= -0.684107 TDE= -4.587988 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101909 tlogG= -0.582406 logG= -0.684315 Density= 3.499107 ETOT(band)= -1.768906 trlgG= -2.463916 logG= -0.684315 TDE= -4.587341 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101314 tlogG= -0.587836 logG= -0.689150 Density= 3.497495 ETOT(band)= -1.774063 trlgG= -2.472125 logG= -0.689150 TDE= -4.589423 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102587 tlogG= -0.577258 logG= -0.679845 Density= 3.500540 ETOT(band)= -1.764121 trlgG= -2.457294 logG= -0.679845 TDE= -4.586340 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101681 tlogG= -0.584821 logG= -0.686502 Density= 3.498512 ETOT(band)= -1.771051 trlgG= -2.467872 logG= -0.686502 TDE= -4.588633 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101257 tlogG= -0.590408 logG= -0.691665 Density= 3.497273 ETOT(band)= -1.775930 trlgG= -2.476951 logG= -0.691665 TDE= -4.591555 logGD-logG0= -0.102311 tlogG= -0.578162 logG= -0.680473 Density= 3.499817 ETOT(band)= -1.765400 trlgG= -2.458424 logG= -0.680473 TDE= -4.586262 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101487 tlogG= -0.585530 logG= -0.687017 Density= 3.498000 ETOT(band)= -1.772076 trlgG= -2.468144 logG= -0.687017 TDE= -4.587981 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101444 tlogG= -0.591407 logG= -0.692852 Density= 3.497642 ETOT(band)= -1.776188 trlgG= -2.479634 logG= -0.692852 TDE= -4.593347 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101814 tlogG= -0.582840 logG= -0.684654 Density= 3.498949 ETOT(band)= -1.769371 trlgG= -2.463872 logG= -0.684654 TDE= -4.586832 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101546 tlogG= -0.587101 logG= -0.688647 Density= 3.498163 ETOT(band)= -1.772872 trlgG= -2.471220 logG= -0.688647 TDE= -4.589555 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101559 tlogG= -0.585680 logG= -0.687239 Density= 3.498508 ETOT(band)= -1.771677 trlgG= -2.466496 logG= -0.687239 TDE= -4.586518 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101117 tlogG= -0.590971 logG= -0.692088 Density= 3.497038 ETOT(band)= -1.776573 trlgG= -2.477292 logG= -0.692088 TDE= -4.591284 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101587 tlogG= -0.585309 logG= -0.686896 Density= 3.498346 ETOT(band)= -1.771583 trlgG= -2.467710 logG= -0.686896 TDE= -4.587945 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102201 tlogG= -0.580314 logG= -0.682515 Density= 3.499645 ETOT(band)= -1.766984 trlgG= -2.461949 logG= -0.682515 TDE= -4.587607 logGD-logG0= -0.101460 tlogG= -0.589689 logG= -0.691148 Density= 3.497780 ETOT(band)= -1.774922 trlgG= -2.476164 logG= -0.691148 TDE= -4.591691 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102045 tlogG= -0.580963 logG= -0.683008 Density= 3.499279 ETOT(band)= -1.767785 trlgG= -2.462383 logG= -0.683008 TDE= -4.587254 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101719 tlogG= -0.584487 logG= -0.686206 Density= 3.498460 ETOT(band)= -1.770872 trlgG= -2.468211 logG= -0.686206 TDE= -4.589227 logGD-logG0= -0.103013 tlogG= -0.573816 logG= -0.676830 Density= 3.501468 ETOT(band)= -1.760937 trlgG= -2.452227 logG= -0.676830 TDE= -4.585033 logGD-logG0= -0.101736 tlogG= -0.582761 logG= -0.684497 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Density= 3.498532 ETOT(band)= -1.769690 trlgG= -2.464759 logG= -0.684497 TDE= -4.587541 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101418 tlogG= -0.587368 logG= -0.688787 Density= 3.497685 ETOT(band)= -1.773531 trlgG= -2.472063 logG= -0.688787 TDE= -4.589877 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101604 tlogG= -0.585435 logG= -0.687039 Density= 3.498504 ETOT(band)= -1.771495 trlgG= -2.467247 logG= -0.687039 TDE= -4.587464 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101588 tlogG= -0.585023 logG= -0.686611 Density= 3.498187 ETOT(band)= -1.771508 trlgG= -2.468380 logG= -0.686611 TDE= -4.588772 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102222 tlogG= -0.578643 logG= -0.680865 Density= 3.499705 ETOT(band)= -1.765850 trlgG= -2.458880 logG= -0.680865 TDE= -4.586235 logGD-logG0= -0.101805 tlogG= -0.584310 logG= -0.686115 Density= 3.498767 ETOT(band)= -1.770459 trlgG= -2.467736 logG= -0.686115 TDE= -4.589089 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101316 tlogG= -0.590279 logG= -0.691594 Density= 3.497483 ETOT(band)= -1.775619 trlgG= -2.476616 logG= -0.691594 TDE= -4.591460 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101392 tlogG= -0.585878 logG= -0.687270 Density= 3.497763 ETOT(band)= -1.772530 trlgG= -2.468465 logG= -0.687270 TDE= -4.587857 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101418 tlogG= -0.588135 logG= -0.689554 Density= 3.497766 ETOT(band)= -1.773961 trlgG= -2.473161 logG= -0.689554 TDE= -4.590271 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102775 tlogG= -0.574702 logG= -0.677477 Density= 3.500876 ETOT(band)= -1.762094 trlgG= -2.453349 logG= -0.677477 TDE= -4.585032 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102494 tlogG= -0.577429 logG= -0.679922 Density= 3.500255 ETOT(band)= -1.764471 trlgG= -2.457653 logG= -0.679922 TDE= -4.586393 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102543 tlogG= -0.575547 logG= -0.678090 Density= 3.500337 ETOT(band)= -1.763176 trlgG= -2.454643 logG= -0.678090 TDE= -4.585281 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1156.55169906769 eV TrLogG= -1610.77101074308 eV Ratio to renormalize= 1.000423341088 rho-rho_expected=-0.071091207010 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 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= 104 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 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 29) Finished k-point number 30 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 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= 0.834725875757994 0.831856284555289 0.835143012409078 0.831768949548003 0.835310027642760 0.831691080241513 0.834976715908750 0.831746119541026 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101314 tlogG= -0.587519 logG= -0.688833 Density= 3.498088 ETOT(band)= -1.773265 trlgG= -2.471053 logG= -0.688833 TDE= -4.589144 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100953 tlogG= -0.592774 logG= -0.693727 Density= 3.497025 ETOT(band)= -1.777783 trlgG= -2.480746 logG= -0.693727 TDE= -4.593088 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101439 tlogG= -0.585307 logG= -0.686746 Density= 3.498422 ETOT(band)= -1.771528 trlgG= -2.467498 logG= -0.686746 TDE= -4.587943 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102163 tlogG= -0.578160 logG= -0.680323 Density= 3.499890 ETOT(band)= -1.765347 trlgG= -2.458214 logG= -0.680323 TDE= -4.586261 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101533 tlogG= -0.584819 logG= -0.686352 Density= 3.498587 ETOT(band)= -1.770996 trlgG= -2.467660 logG= -0.686352 TDE= -4.588631 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101339 tlogG= -0.585528 logG= -0.686867 Density= 3.498076 ETOT(band)= -1.772020 trlgG= -2.467933 logG= -0.686867 TDE= -4.587979 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101229 tlogG= -0.587890 logG= -0.689119 Density= 3.497989 ETOT(band)= -1.773625 trlgG= -2.470815 logG= -0.689119 TDE= -4.588540 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101897 tlogG= -0.580961 logG= -0.682858 Density= 3.499353 ETOT(band)= -1.767731 trlgG= -2.462172 logG= -0.682858 TDE= -4.587252 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101168 tlogG= -0.590276 logG= -0.691444 Density= 3.497558 ETOT(band)= -1.775563 trlgG= -2.476405 logG= -0.691444 TDE= -4.591459 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101270 tlogG= -0.587366 logG= -0.688637 Density= 3.497761 ETOT(band)= -1.773476 trlgG= -2.471852 logG= -0.688637 TDE= -4.589875 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101297 tlogG= -0.591405 logG= -0.692702 Density= 3.497715 ETOT(band)= -1.776134 trlgG= -2.479424 logG= -0.692702 TDE= -4.593346 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101987 tlogG= -0.578831 logG= -0.680818 Density= 3.499506 ETOT(band)= -1.766176 trlgG= -2.459062 logG= -0.680818 TDE= -4.586305 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101038 tlogG= -0.590819 logG= -0.691857 Density= 3.497340 ETOT(band)= -1.776169 trlgG= -2.476812 logG= -0.691857 TDE= -4.591279 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.102075 tlogG= -0.578641 logG= -0.680715 Density= 3.499779 ETOT(band)= -1.765796 trlgG= -2.458669 logG= -0.680715 TDE= -4.586234 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101490 tlogG= -0.583225 logG= -0.684715 Density= 3.498429 ETOT(band)= -1.770157 trlgG= -2.464472 logG= -0.684715 TDE= -4.586954 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102865 tlogG= -0.573814 logG= -0.676679 Density= 3.501537 ETOT(band)= -1.760887 trlgG= -2.452020 logG= -0.676679 TDE= -4.585031 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102253 tlogG= -0.577981 logG= -0.680234 Density= 3.500169 ETOT(band)= -1.764982 trlgG= -2.457817 logG= -0.680234 TDE= -4.586176 logGD-logG0= -0.101178 tlogG= -0.586175 logG= -0.687353 Density= 3.497790 ETOT(band)= -1.772757 trlgG= -2.467211 logG= -0.687353 TDE= -4.586542 logGD-logG0= -0.101152 tlogG= -0.588672 logG= -0.689824 Density= 3.497627 ETOT(band)= -1.774510 trlgG= -2.472929 logG= -0.689824 TDE= -4.589658 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101748 tlogG= -0.581553 logG= -0.683301 Density= 3.499046 ETOT(band)= -1.768438 trlgG= -2.462678 logG= -0.683301 TDE= -4.587068 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102053 tlogG= -0.580312 logG= -0.682365 Density= 3.499718 ETOT(band)= -1.766931 trlgG= -2.461740 logG= -0.682365 TDE= -4.587605 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101320 tlogG= -0.585525 logG= -0.686844 Density= 3.497959 ETOT(band)= -1.772100 trlgG= -2.468493 logG= -0.686844 TDE= -4.588468 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101166 tlogG= -0.587834 logG= -0.689000 Density= 3.497571 ETOT(band)= -1.774007 trlgG= -2.471913 logG= -0.689000 TDE= -4.589421 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101109 tlogG= -0.592109 logG= -0.693217 Density= 3.497316 ETOT(band)= -1.777001 trlgG= -2.480030 logG= -0.693217 TDE= -4.593117 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101407 tlogG= -0.587558 logG= -0.688965 Density= 3.498125 ETOT(band)= -1.773226 trlgG= -2.472649 logG= -0.688965 TDE= -4.590636 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101109 tlogG= -0.590406 logG= -0.691515 Density= 3.497348 ETOT(band)= -1.775874 trlgG= -2.476739 logG= -0.691515 TDE= -4.591554 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101312 tlogG= -0.589687 logG= -0.690998 Density= 3.497854 ETOT(band)= -1.774867 trlgG= -2.475953 logG= -0.690998 TDE= -4.591691 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101260 tlogG= -0.589795 logG= -0.691055 Density= 3.497661 ETOT(band)= -1.775140 trlgG= -2.476300 logG= -0.691055 TDE= -4.591825 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101703 tlogG= -0.582253 logG= -0.683957 Density= 3.498848 ETOT(band)= -1.769037 trlgG= -2.464411 logG= -0.683957 TDE= -4.587987 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102626 tlogG= -0.574700 logG= -0.677327 Density= 3.500947 ETOT(band)= -1.762043 trlgG= -2.453140 logG= -0.677327 TDE= -4.585031 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101440 tlogG= -0.585021 logG= -0.686461 Density= 3.498262 ETOT(band)= -1.771453 trlgG= -2.468169 logG= -0.686461 TDE= -4.588770 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101457 tlogG= -0.585433 logG= -0.686890 Density= 3.498580 ETOT(band)= -1.771439 trlgG= -2.467035 logG= -0.686890 TDE= -4.587463 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101870 tlogG= -0.581936 logG= -0.683806 Density= 3.499404 ETOT(band)= -1.768317 trlgG= -2.463590 logG= -0.683806 TDE= -4.587763 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102439 tlogG= -0.577256 logG= -0.679695 Density= 3.500611 ETOT(band)= -1.764069 trlgG= -2.457085 logG= -0.679695 TDE= -4.586338 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101588 tlogG= -0.582759 logG= -0.684347 Density= 3.498607 ETOT(band)= -1.769635 trlgG= -2.464547 logG= -0.684347 TDE= -4.587540 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101399 tlogG= -0.587099 logG= -0.688498 Density= 3.498238 ETOT(band)= -1.772817 trlgG= -2.471008 logG= -0.688498 TDE= -4.589554 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101571 tlogG= -0.584485 logG= -0.686056 Density= 3.498535 ETOT(band)= -1.770818 trlgG= -2.468000 logG= -0.686056 TDE= -4.589225 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102345 tlogG= -0.577427 logG= -0.679772 Density= 3.500327 ETOT(band)= -1.764419 trlgG= -2.457444 logG= -0.679772 TDE= -4.586392 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101657 tlogG= -0.584308 logG= -0.685965 Density= 3.498841 ETOT(band)= -1.770405 trlgG= -2.467525 logG= -0.685965 TDE= -4.589088 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101762 tlogG= -0.582404 logG= -0.684165 Density= 3.499182 ETOT(band)= -1.768851 trlgG= -2.463705 logG= -0.684165 TDE= -4.587340 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101271 tlogG= -0.588133 logG= -0.689404 Density= 3.497841 ETOT(band)= -1.773905 trlgG= -2.472949 logG= -0.689404 TDE= -4.590270 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101520 tlogG= -0.585141 logG= -0.686661 Density= 3.498631 ETOT(band)= -1.771172 trlgG= -2.467369 logG= -0.686661 TDE= -4.588067 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101068 tlogG= -0.588245 logG= -0.689313 Density= 3.497430 ETOT(band)= -1.774446 trlgG= -2.471462 logG= -0.689313 TDE= -4.588544 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101243 tlogG= -0.585876 logG= -0.687120 Density= 3.497839 ETOT(band)= -1.772474 trlgG= -2.468253 logG= -0.687120 TDE= -4.587856 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100970 tlogG= -0.590969 logG= -0.691939 Density= 3.497115 ETOT(band)= -1.776516 trlgG= -2.477080 logG= -0.691939 TDE= -4.591283 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101667 tlogG= -0.582838 logG= -0.684505 Density= 3.499024 ETOT(band)= -1.769316 trlgG= -2.463661 logG= -0.684505 TDE= -4.586831 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102395 tlogG= -0.575545 logG= -0.677940 Density= 3.500410 ETOT(band)= -1.763123 trlgG= -2.454433 logG= -0.677940 TDE= -4.585279 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101412 tlogG= -0.585678 logG= -0.687089 Density= 3.498584 ETOT(band)= -1.771620 trlgG= -2.466285 logG= -0.687089 TDE= -4.586516 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.51586877421 eV TrLogG= -1610.67235220570 eV Ratio to renormalize= 1.000401988839 rho-rho_expected=-0.067506987941 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 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 37) Finished k-point number 38 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 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 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= 104 17) Finished k-point number 18 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 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= 105 24) Finished k-point number 25 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= 0.834725156796433 0.831855442814438 0.835142290154542 0.831768109224288 0.835309315814810 0.831690234850622 0.834975997038229 0.831745275690061 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101260 tlogG= -0.589796 logG= -0.691056 Density= 3.497660 ETOT(band)= -1.775140 trlgG= -2.476301 logG= -0.691056 TDE= -4.591825 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102162 tlogG= -0.578161 logG= -0.680323 Density= 3.499889 ETOT(band)= -1.765347 trlgG= -2.458215 logG= -0.680323 TDE= -4.586260 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101439 tlogG= -0.585308 logG= -0.686747 Density= 3.498421 ETOT(band)= -1.771528 trlgG= -2.467499 logG= -0.686747 TDE= -4.587943 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101319 tlogG= -0.585526 logG= -0.686845 Density= 3.497958 ETOT(band)= -1.772100 trlgG= -2.468493 logG= -0.686845 TDE= -4.588467 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100952 tlogG= -0.592775 logG= -0.693728 Density= 3.497024 ETOT(band)= -1.777784 trlgG= -2.480746 logG= -0.693728 TDE= -4.593088 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101533 tlogG= -0.584820 logG= -0.686353 Density= 3.498586 ETOT(band)= -1.770996 trlgG= -2.467661 logG= -0.686353 TDE= -4.588631 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101270 tlogG= -0.587367 logG= -0.688637 Density= 3.497760 ETOT(band)= -1.773476 trlgG= -2.471852 logG= -0.688637 TDE= -4.589875 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101296 tlogG= -0.591406 logG= -0.692702 Density= 3.497715 ETOT(band)= -1.776134 trlgG= -2.479425 logG= -0.692702 TDE= -4.593346 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101456 tlogG= -0.585434 logG= -0.686890 Density= 3.498579 ETOT(band)= -1.771440 trlgG= -2.467036 logG= -0.686890 TDE= -4.587462 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101313 tlogG= -0.587520 logG= -0.688834 Density= 3.498087 ETOT(band)= -1.773265 trlgG= -2.471054 logG= -0.688834 TDE= -4.589143 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101038 tlogG= -0.590820 logG= -0.691858 Density= 3.497340 ETOT(band)= -1.776170 trlgG= -2.476813 logG= -0.691858 TDE= -4.591278 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101228 tlogG= -0.587891 logG= -0.689119 Density= 3.497988 ETOT(band)= -1.773626 trlgG= -2.470815 logG= -0.689119 TDE= -4.588539 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101243 tlogG= -0.585877 logG= -0.687120 Density= 3.497838 ETOT(band)= -1.772475 trlgG= -2.468254 logG= -0.687120 TDE= -4.587856 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.102345 tlogG= -0.577427 logG= -0.679772 Density= 3.500326 ETOT(band)= -1.764419 trlgG= -2.457445 logG= -0.679772 TDE= -4.586392 logGD-logG0= -0.101178 tlogG= -0.586175 logG= -0.687353 Density= 3.497789 ETOT(band)= -1.772757 trlgG= -2.467211 logG= -0.687353 TDE= -4.586541 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101166 tlogG= -0.587835 logG= -0.689001 Density= 3.497570 ETOT(band)= -1.774008 trlgG= -2.471914 logG= -0.689001 TDE= -4.589421 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101407 tlogG= -0.587559 logG= -0.688966 Density= 3.498124 ETOT(band)= -1.773226 trlgG= -2.472650 logG= -0.688966 TDE= -4.590636 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101490 tlogG= -0.583226 logG= -0.684716 Density= 3.498428 ETOT(band)= -1.770157 trlgG= -2.464473 logG= -0.684716 TDE= -4.586953 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101748 tlogG= -0.581554 logG= -0.683302 Density= 3.499045 ETOT(band)= -1.768439 trlgG= -2.462679 logG= -0.683302 TDE= -4.587068 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102074 tlogG= -0.578641 logG= -0.680716 Density= 3.499778 ETOT(band)= -1.765796 trlgG= -2.458670 logG= -0.680716 TDE= -4.586233 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101152 tlogG= -0.588673 logG= -0.689824 Density= 3.497626 ETOT(band)= -1.774510 trlgG= -2.472930 logG= -0.689824 TDE= -4.589658 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101108 tlogG= -0.592110 logG= -0.693218 Density= 3.497315 ETOT(band)= -1.777002 trlgG= -2.480031 logG= -0.693218 TDE= -4.593116 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101311 tlogG= -0.589688 logG= -0.690999 Density= 3.497853 ETOT(band)= -1.774867 trlgG= -2.475954 logG= -0.690999 TDE= -4.591690 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101897 tlogG= -0.580961 logG= -0.682858 Density= 3.499352 ETOT(band)= -1.767731 trlgG= -2.462173 logG= -0.682858 TDE= -4.587252 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100969 tlogG= -0.590970 logG= -0.691939 Density= 3.497114 ETOT(band)= -1.776516 trlgG= -2.477080 logG= -0.691939 TDE= -4.591282 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101666 tlogG= -0.582839 logG= -0.684505 Density= 3.499024 ETOT(band)= -1.769316 trlgG= -2.463661 logG= -0.684505 TDE= -4.586830 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101657 tlogG= -0.584309 logG= -0.685965 Density= 3.498840 ETOT(band)= -1.770405 trlgG= -2.467526 logG= -0.685965 TDE= -4.589088 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101339 tlogG= -0.585529 logG= -0.686867 Density= 3.498075 ETOT(band)= -1.772020 trlgG= -2.467933 logG= -0.686867 TDE= -4.587979 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102053 tlogG= -0.580313 logG= -0.682366 Density= 3.499717 ETOT(band)= -1.766931 trlgG= -2.461741 logG= -0.682366 TDE= -4.587605 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101987 tlogG= -0.578831 logG= -0.680818 Density= 3.499505 ETOT(band)= -1.766176 trlgG= -2.459062 logG= -0.680818 TDE= -4.586304 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102865 tlogG= -0.573815 logG= -0.676680 Density= 3.501536 ETOT(band)= -1.760887 trlgG= -2.452021 logG= -0.676680 TDE= -4.585031 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102253 tlogG= -0.577982 logG= -0.680235 Density= 3.500168 ETOT(band)= -1.764982 trlgG= -2.457818 logG= -0.680235 TDE= -4.586175 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101520 tlogG= -0.585142 logG= -0.686662 Density= 3.498630 ETOT(band)= -1.771172 trlgG= -2.467370 logG= -0.686662 TDE= -4.588067 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101067 tlogG= -0.588246 logG= -0.689313 Density= 3.497429 ETOT(band)= -1.774446 trlgG= -2.471463 logG= -0.689313 TDE= -4.588544 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102394 tlogG= -0.575546 logG= -0.677940 Density= 3.500409 ETOT(band)= -1.763124 trlgG= -2.454434 logG= -0.677940 TDE= -4.585279 logGD-logG0= -0.101588 tlogG= -0.582760 logG= -0.684347 Density= 3.498606 ETOT(band)= -1.769636 trlgG= -2.464548 logG= -0.684347 TDE= -4.587539 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101869 tlogG= -0.581937 logG= -0.683806 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Density= 3.499403 ETOT(band)= -1.768317 trlgG= -2.463591 logG= -0.683806 TDE= -4.587763 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101168 tlogG= -0.590277 logG= -0.691445 Density= 3.497557 ETOT(band)= -1.775563 trlgG= -2.476406 logG= -0.691445 TDE= -4.591458 logGD-logG0= -0.101761 tlogG= -0.582404 logG= -0.684166 Density= 3.499181 ETOT(band)= -1.768851 trlgG= -2.463705 logG= -0.684166 TDE= -4.587339 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101270 tlogG= -0.588134 logG= -0.689405 Density= 3.497840 ETOT(band)= -1.773905 trlgG= -2.472950 logG= -0.689405 TDE= -4.590269 logGD-logG0= -0.102626 tlogG= -0.574701 logG= -0.677327 Density= 3.500946 ETOT(band)= -1.762043 trlgG= -2.453141 logG= -0.677327 TDE= -4.585030 logGD-logG0= -0.101398 tlogG= -0.587100 logG= -0.688498 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Density= 3.498237 ETOT(band)= -1.772817 trlgG= -2.471009 logG= -0.688498 TDE= -4.589554 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101109 tlogG= -0.590407 logG= -0.691515 Density= 3.497347 ETOT(band)= -1.775874 trlgG= -2.476740 logG= -0.691515 TDE= -4.591553 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101439 tlogG= -0.585022 logG= -0.686461 Density= 3.498261 ETOT(band)= -1.771453 trlgG= -2.468170 logG= -0.686461 TDE= -4.588770 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102438 tlogG= -0.577257 logG= -0.679695 Density= 3.500610 ETOT(band)= -1.764069 trlgG= -2.457086 logG= -0.679695 TDE= -4.586338 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101411 tlogG= -0.585678 logG= -0.687090 Density= 3.498583 ETOT(band)= -1.771621 trlgG= -2.466285 logG= -0.687090 TDE= -4.586516 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101703 tlogG= -0.582254 logG= -0.683957 Density= 3.498847 ETOT(band)= -1.769038 trlgG= -2.464411 logG= -0.683957 TDE= -4.587987 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101571 tlogG= -0.584486 logG= -0.686057 Density= 3.498534 ETOT(band)= -1.770818 trlgG= -2.468001 logG= -0.686057 TDE= -4.589225 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.51608550986 eV TrLogG= -1610.67237880425 eV Ratio to renormalize= 1.000402231830 rho-rho_expected=-0.067547777551 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 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 8) Finished k-point number 9 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 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= 105 27) Finished k-point number 28 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 0) Finished k-point number 1 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= 0.834724695660728 0.831854971596067 0.835141830367767 0.831767637217031 0.835308858800746 0.831689761495085 0.834975537215353 0.831744803241560 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101914 tlogG= -0.581554 logG= -0.683469 Density= 3.499001 ETOT(band)= -1.768469 trlgG= -2.462880 logG= -0.683469 TDE= -4.587067 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101486 tlogG= -0.585526 logG= -0.687012 Density= 3.497914 ETOT(band)= -1.772131 trlgG= -2.468695 logG= -0.687012 TDE= -4.588467 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101395 tlogG= -0.587891 logG= -0.689286 Density= 3.497944 ETOT(band)= -1.773657 trlgG= -2.471017 logG= -0.689286 TDE= -4.588539 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101410 tlogG= -0.585878 logG= -0.687287 Density= 3.497793 ETOT(band)= -1.772506 trlgG= -2.468456 logG= -0.687287 TDE= -4.587855 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101700 tlogG= -0.584820 logG= -0.686520 Density= 3.498542 ETOT(band)= -1.771027 trlgG= -2.467863 logG= -0.686520 TDE= -4.588630 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102153 tlogG= -0.578832 logG= -0.680985 Density= 3.499461 ETOT(band)= -1.766206 trlgG= -2.459264 logG= -0.680985 TDE= -4.586304 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101437 tlogG= -0.587367 logG= -0.688804 Density= 3.497716 ETOT(band)= -1.773507 trlgG= -2.472054 logG= -0.688804 TDE= -4.589874 logGD-logG0= -0.101605 tlogG= -0.585308 logG= -0.686914 Density= 3.498377 ETOT(band)= -1.771559 trlgG= -2.467701 logG= -0.686914 TDE= -4.587942 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101427 tlogG= -0.589796 logG= -0.691223 Density= 3.497618 ETOT(band)= -1.775170 trlgG= -2.476501 logG= -0.691223 TDE= -4.591825 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101345 tlogG= -0.586176 logG= -0.687520 Density= 3.497744 ETOT(band)= -1.772789 trlgG= -2.467414 logG= -0.687520 TDE= -4.586541 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101136 tlogG= -0.590970 logG= -0.692106 Density= 3.497070 ETOT(band)= -1.776548 trlgG= -2.477282 logG= -0.692106 TDE= -4.591282 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101463 tlogG= -0.591407 logG= -0.692870 Density= 3.497673 ETOT(band)= -1.776163 trlgG= -2.479625 logG= -0.692870 TDE= -4.593345 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101275 tlogG= -0.590407 logG= -0.691682 Density= 3.497304 ETOT(band)= -1.775905 trlgG= -2.476941 logG= -0.691682 TDE= -4.591553 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101204 tlogG= -0.590820 logG= -0.692025 Density= 3.497296 ETOT(band)= -1.776201 trlgG= -2.477015 logG= -0.692025 TDE= -4.591278 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101656 tlogG= -0.583226 logG= -0.684883 Density= 3.498384 ETOT(band)= -1.770188 trlgG= -2.464675 logG= -0.684883 TDE= -4.586953 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101119 tlogG= -0.592776 logG= -0.693895 Density= 3.496980 ETOT(band)= -1.777815 trlgG= -2.480948 logG= -0.693895 TDE= -4.593087 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101754 tlogG= -0.582760 logG= -0.684515 Density= 3.498562 ETOT(band)= -1.769666 trlgG= -2.464750 logG= -0.684515 TDE= -4.587539 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101480 tlogG= -0.587520 logG= -0.689001 Density= 3.498044 ETOT(band)= -1.773296 trlgG= -2.471256 logG= -0.689001 TDE= -4.589143 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102063 tlogG= -0.580962 logG= -0.683025 Density= 3.499309 ETOT(band)= -1.767761 trlgG= -2.462374 logG= -0.683025 TDE= -4.587251 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102329 tlogG= -0.578161 logG= -0.680490 Density= 3.499846 ETOT(band)= -1.765377 trlgG= -2.458416 logG= -0.680490 TDE= -4.586260 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.103031 tlogG= -0.573815 logG= -0.676847 Density= 3.501495 ETOT(band)= -1.760915 trlgG= -2.452220 logG= -0.676847 TDE= -4.585030 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101573 tlogG= -0.587560 logG= -0.689133 Density= 3.498082 ETOT(band)= -1.773256 trlgG= -2.472850 logG= -0.689133 TDE= -4.590635 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102241 tlogG= -0.578642 logG= -0.680882 Density= 3.499734 ETOT(band)= -1.765826 trlgG= -2.458871 logG= -0.680882 TDE= -4.586233 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102219 tlogG= -0.580313 logG= -0.682533 Density= 3.499674 ETOT(band)= -1.766961 trlgG= -2.461941 logG= -0.682533 TDE= -4.587604 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102605 tlogG= -0.577257 logG= -0.679862 Density= 3.500568 ETOT(band)= -1.764098 trlgG= -2.457286 logG= -0.679862 TDE= -4.586337 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101928 tlogG= -0.582405 logG= -0.684333 Density= 3.499137 ETOT(band)= -1.768882 trlgG= -2.463907 logG= -0.684333 TDE= -4.587339 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101823 tlogG= -0.584309 logG= -0.686133 Density= 3.498797 ETOT(band)= -1.770435 trlgG= -2.467727 logG= -0.686133 TDE= -4.589087 logGD-logG0= -0.102793 tlogG= -0.574701 logG= -0.677494 Density= 3.500904 ETOT(band)= -1.762072 trlgG= -2.453341 logG= -0.677494 TDE= -4.585030 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101275 tlogG= -0.592110 logG= -0.693385 Density= 3.497272 ETOT(band)= -1.777032 trlgG= -2.480232 logG= -0.693385 TDE= -4.593116 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101334 tlogG= -0.590278 logG= -0.691612 Density= 3.497514 ETOT(band)= -1.775594 trlgG= -2.476607 logG= -0.691612 TDE= -4.591458 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101623 tlogG= -0.585434 logG= -0.687057 Density= 3.498535 ETOT(band)= -1.771471 trlgG= -2.467238 logG= -0.687057 TDE= -4.587462 logGD-logG0= -0.101870 tlogG= -0.582254 logG= -0.684124 Density= 3.498804 ETOT(band)= -1.769068 trlgG= -2.464613 logG= -0.684124 TDE= -4.587986 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101505 tlogG= -0.585529 logG= -0.687034 Density= 3.498031 ETOT(band)= -1.772052 trlgG= -2.468135 logG= -0.687034 TDE= -4.587978 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101318 tlogG= -0.588673 logG= -0.689992 Density= 3.497582 ETOT(band)= -1.774541 trlgG= -2.473132 logG= -0.689992 TDE= -4.589657 logGD-logG0= -0.101437 tlogG= -0.588135 logG= -0.689572 Density= 3.497797 ETOT(band)= -1.773936 trlgG= -2.473151 logG= -0.689572 TDE= -4.590269 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101738 tlogG= -0.584486 logG= -0.686224 Density= 3.498491 ETOT(band)= -1.770848 trlgG= -2.468202 logG= -0.686224 TDE= -4.589224 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101606 tlogG= -0.585023 logG= -0.686629 Density= 3.498217 ETOT(band)= -1.771484 trlgG= -2.468371 logG= -0.686629 TDE= -4.588769 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102036 tlogG= -0.581937 logG= -0.683973 Density= 3.499359 ETOT(band)= -1.768347 trlgG= -2.463792 logG= -0.683973 TDE= -4.587762 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101687 tlogG= -0.585142 logG= -0.686829 Density= 3.498586 ETOT(band)= -1.771203 trlgG= -2.467572 logG= -0.686829 TDE= -4.588066 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102420 tlogG= -0.577982 logG= -0.680402 Density= 3.500125 ETOT(band)= -1.765012 trlgG= -2.458019 logG= -0.680402 TDE= -4.586175 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101478 tlogG= -0.589688 logG= -0.691166 Density= 3.497811 ETOT(band)= -1.774897 trlgG= -2.476155 logG= -0.691166 TDE= -4.591690 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101565 tlogG= -0.587100 logG= -0.688665 Density= 3.498194 ETOT(band)= -1.772848 trlgG= -2.471211 logG= -0.688665 TDE= -4.589553 logGD-logG0= -0.101234 tlogG= -0.588246 logG= -0.689480 Density= 3.497384 ETOT(band)= -1.774478 trlgG= -2.471665 logG= -0.689480 TDE= -4.588543 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101833 tlogG= -0.582839 logG= -0.684672 Density= 3.498980 ETOT(band)= -1.769347 trlgG= -2.463863 logG= -0.684672 TDE= -4.586829 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102512 tlogG= -0.577428 logG= -0.679939 Density= 3.500283 ETOT(band)= -1.764448 trlgG= -2.457646 logG= -0.679939 TDE= -4.586391 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102561 tlogG= -0.575546 logG= -0.678107 Density= 3.500366 ETOT(band)= -1.763153 trlgG= -2.454635 logG= -0.678107 TDE= -4.585278 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101578 tlogG= -0.585679 logG= -0.687257 Density= 3.498539 ETOT(band)= -1.771652 trlgG= -2.466487 logG= -0.687257 TDE= -4.586515 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101333 tlogG= -0.587835 logG= -0.689168 Density= 3.497526 ETOT(band)= -1.774039 trlgG= -2.472116 logG= -0.689168 TDE= -4.589420 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.53599727317 eV TrLogG= -1610.78112862907 eV Ratio to renormalize= 1.000414661115 rho-rho_expected=-0.069634192714 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 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= 105 11) Finished k-point number 12 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834724439049194 0.831854788930080 0.835141582110588 0.831767450432736 0.835308604717029 0.831689578164837 0.834975282352817 0.831744620424414 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101119 tlogG= -0.592775 logG= -0.693894 Density= 3.496980 ETOT(band)= -1.777814 trlgG= -2.480946 logG= -0.693894 TDE= -4.593086 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101427 tlogG= -0.589795 logG= -0.691222 Density= 3.497618 ETOT(band)= -1.775169 trlgG= -2.476499 logG= -0.691222 TDE= -4.591823 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101480 tlogG= -0.587520 logG= -0.689000 Density= 3.498043 ETOT(band)= -1.773295 trlgG= -2.471254 logG= -0.689000 TDE= -4.589141 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101606 tlogG= -0.585022 logG= -0.686628 Density= 3.498217 ETOT(band)= -1.771483 trlgG= -2.468369 logG= -0.686628 TDE= -4.588768 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101437 tlogG= -0.588134 logG= -0.689571 Density= 3.497796 ETOT(band)= -1.773935 trlgG= -2.473149 logG= -0.689571 TDE= -4.590267 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101505 tlogG= -0.585528 logG= -0.687033 Density= 3.498031 ETOT(band)= -1.772050 trlgG= -2.468133 logG= -0.687033 TDE= -4.587977 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101344 tlogG= -0.586175 logG= -0.687519 Density= 3.497744 ETOT(band)= -1.772787 trlgG= -2.467411 logG= -0.687519 TDE= -4.586539 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101656 tlogG= -0.583225 logG= -0.684882 Density= 3.498384 ETOT(band)= -1.770187 trlgG= -2.464673 logG= -0.684882 TDE= -4.586951 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101623 tlogG= -0.585433 logG= -0.687056 Density= 3.498534 ETOT(band)= -1.771470 trlgG= -2.467235 logG= -0.687056 TDE= -4.587460 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101699 tlogG= -0.584819 logG= -0.686519 Density= 3.498542 ETOT(band)= -1.771026 trlgG= -2.467860 logG= -0.686519 TDE= -4.588629 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101928 tlogG= -0.582404 logG= -0.684332 Density= 3.499136 ETOT(band)= -1.768881 trlgG= -2.463905 logG= -0.684332 TDE= -4.587337 logGD-logG0= -0.101275 tlogG= -0.590406 logG= -0.691681 Density= 3.497304 ETOT(band)= -1.775904 trlgG= -2.476939 logG= -0.691681 TDE= -4.591551 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101234 tlogG= -0.588245 logG= -0.689479 Density= 3.497384 ETOT(band)= -1.774476 trlgG= -2.471663 logG= -0.689479 TDE= -4.588542 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102561 tlogG= -0.575546 logG= -0.678106 Density= 3.500365 ETOT(band)= -1.763152 trlgG= -2.454632 logG= -0.678106 TDE= -4.585277 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102153 tlogG= -0.578831 logG= -0.680984 Density= 3.499461 ETOT(band)= -1.766205 trlgG= -2.459262 logG= -0.680984 TDE= -4.586302 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102511 tlogG= -0.577427 logG= -0.679938 Density= 3.500283 ETOT(band)= -1.764447 trlgG= -2.457643 logG= -0.679938 TDE= -4.586389 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102329 tlogG= -0.578161 logG= -0.680489 Density= 3.499846 ETOT(band)= -1.765375 trlgG= -2.458414 logG= -0.680489 TDE= -4.586258 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101318 tlogG= -0.588672 logG= -0.689991 Density= 3.497581 ETOT(band)= -1.774540 trlgG= -2.473130 logG= -0.689991 TDE= -4.589656 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101437 tlogG= -0.587367 logG= -0.688803 Density= 3.497716 ETOT(band)= -1.773505 trlgG= -2.472052 logG= -0.688803 TDE= -4.589873 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102605 tlogG= -0.577257 logG= -0.679861 Density= 3.500568 ETOT(band)= -1.764097 trlgG= -2.457284 logG= -0.679861 TDE= -4.586336 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101204 tlogG= -0.590819 logG= -0.692024 Density= 3.497295 ETOT(band)= -1.776200 trlgG= -2.477013 logG= -0.692024 TDE= -4.591276 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101754 tlogG= -0.582759 logG= -0.684514 Density= 3.498562 ETOT(band)= -1.769665 trlgG= -2.464748 logG= -0.684514 TDE= -4.587537 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101478 tlogG= -0.589687 logG= -0.691165 Density= 3.497811 ETOT(band)= -1.774896 trlgG= -2.476153 logG= -0.691165 TDE= -4.591688 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101136 tlogG= -0.590969 logG= -0.692105 Density= 3.497069 ETOT(band)= -1.776547 trlgG= -2.477280 logG= -0.692105 TDE= -4.591280 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101486 tlogG= -0.585525 logG= -0.687011 Density= 3.497914 ETOT(band)= -1.772129 trlgG= -2.468693 logG= -0.687011 TDE= -4.588465 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102793 tlogG= -0.574701 logG= -0.677493 Density= 3.500904 ETOT(band)= -1.762070 trlgG= -2.453339 logG= -0.677493 TDE= -4.585028 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101463 tlogG= -0.591406 logG= -0.692869 Density= 3.497673 ETOT(band)= -1.776162 trlgG= -2.479623 logG= -0.692869 TDE= -4.593344 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102036 tlogG= -0.581937 logG= -0.683972 Density= 3.499359 ETOT(band)= -1.768346 trlgG= -2.463790 logG= -0.683972 TDE= -4.587760 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101578 tlogG= -0.585678 logG= -0.687256 Density= 3.498539 ETOT(band)= -1.771651 trlgG= -2.466485 logG= -0.687256 TDE= -4.586514 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101395 tlogG= -0.587890 logG= -0.689285 Density= 3.497943 ETOT(band)= -1.773656 trlgG= -2.471015 logG= -0.689285 TDE= -4.588537 logGD-logG0= -0.103031 tlogG= -0.573815 logG= -0.676846 Density= 3.501495 ETOT(band)= -1.760913 trlgG= -2.452218 logG= -0.676846 TDE= -4.585029 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101914 tlogG= -0.581554 logG= -0.683468 Density= 3.499000 ETOT(band)= -1.768468 trlgG= -2.462878 logG= -0.683468 TDE= -4.587065 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102063 tlogG= -0.580961 logG= -0.683024 Density= 3.499308 ETOT(band)= -1.767760 trlgG= -2.462372 logG= -0.683024 TDE= -4.587250 logGD-logG0= -0.101686 tlogG= -0.585141 logG= -0.686828 Density= 3.498586 ETOT(band)= -1.771202 trlgG= -2.467569 logG= -0.686828 TDE= -4.588064 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101275 tlogG= -0.592109 logG= -0.693384 Density= 3.497272 ETOT(band)= -1.777031 trlgG= -2.480230 logG= -0.693384 TDE= -4.593114 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102241 tlogG= -0.578641 logG= -0.680881 Density= 3.499734 ETOT(band)= -1.765825 trlgG= -2.458869 logG= -0.680881 TDE= -4.586231 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101737 tlogG= -0.584485 logG= -0.686223 Density= 3.498490 ETOT(band)= -1.770847 trlgG= -2.468200 logG= -0.686223 TDE= -4.589223 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101823 tlogG= -0.584308 logG= -0.686132 Density= 3.498797 ETOT(band)= -1.770434 trlgG= -2.467725 logG= -0.686132 TDE= -4.589085 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101333 tlogG= -0.587834 logG= -0.689167 Density= 3.497526 ETOT(band)= -1.774038 trlgG= -2.472114 logG= -0.689167 TDE= -4.589419 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101410 tlogG= -0.585877 logG= -0.687286 Density= 3.497793 ETOT(band)= -1.772504 trlgG= -2.468454 logG= -0.687286 TDE= -4.587853 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101605 tlogG= -0.585307 logG= -0.686913 Density= 3.498377 ETOT(band)= -1.771558 trlgG= -2.467698 logG= -0.686913 TDE= -4.587941 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101869 tlogG= -0.582254 logG= -0.684123 Density= 3.498803 ETOT(band)= -1.769067 trlgG= -2.464610 logG= -0.684123 TDE= -4.587984 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101833 tlogG= -0.582838 logG= -0.684671 Density= 3.498979 ETOT(band)= -1.769346 trlgG= -2.463861 logG= -0.684671 TDE= -4.586828 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102219 tlogG= -0.580313 logG= -0.682532 Density= 3.499674 ETOT(band)= -1.766960 trlgG= -2.461939 logG= -0.682532 TDE= -4.587603 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101334 tlogG= -0.590277 logG= -0.691611 Density= 3.497514 ETOT(band)= -1.775593 trlgG= -2.476605 logG= -0.691611 TDE= -4.591456 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101565 tlogG= -0.587099 logG= -0.688664 Density= 3.498193 ETOT(band)= -1.772847 trlgG= -2.471208 logG= -0.688664 TDE= -4.589552 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102419 tlogG= -0.577981 logG= -0.680401 Density= 3.500125 ETOT(band)= -1.765011 trlgG= -2.458017 logG= -0.680401 TDE= -4.586173 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101573 tlogG= -0.587559 logG= -0.689132 Density= 3.498081 ETOT(band)= -1.773255 trlgG= -2.472848 logG= -0.689132 TDE= -4.590634 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.53516971495 eV TrLogG= -1610.77941204757 eV Ratio to renormalize= 1.000414782238 rho-rho_expected=-0.069654524583 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 44) Finished k-point number 45 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= 0.834723185618003 0.831853645500259 0.835140341903545 0.831766299675265 0.835307363338931 0.831688429868275 0.834974034782410 0.831743475235682 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101206 tlogG= -0.589793 logG= -0.691000 Density= 3.497526 ETOT(band)= -1.775243 trlgG= -2.476347 logG= -0.691000 TDE= -4.591820 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101693 tlogG= -0.581552 logG= -0.683245 Density= 3.498910 ETOT(band)= -1.768542 trlgG= -2.462724 logG= -0.683245 TDE= -4.587062 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101479 tlogG= -0.584818 logG= -0.686296 Density= 3.498451 ETOT(band)= -1.771100 trlgG= -2.467707 logG= -0.686296 TDE= -4.588625 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101114 tlogG= -0.590275 logG= -0.691389 Density= 3.497423 ETOT(band)= -1.775667 trlgG= -2.476453 logG= -0.691389 TDE= -4.591453 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100899 tlogG= -0.592773 logG= -0.693672 Density= 3.496888 ETOT(band)= -1.777888 trlgG= -2.480794 logG= -0.693672 TDE= -4.593082 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101174 tlogG= -0.587889 logG= -0.689063 Density= 3.497853 ETOT(band)= -1.773730 trlgG= -2.470862 logG= -0.689063 TDE= -4.588534 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101436 tlogG= -0.583224 logG= -0.684659 Density= 3.498293 ETOT(band)= -1.770260 trlgG= -2.464519 logG= -0.684659 TDE= -4.586947 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101385 tlogG= -0.585306 logG= -0.686690 Density= 3.498286 ETOT(band)= -1.771631 trlgG= -2.467545 logG= -0.686690 TDE= -4.587937 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100984 tlogG= -0.590818 logG= -0.691801 Density= 3.497204 ETOT(band)= -1.776275 trlgG= -2.476860 logG= -0.691801 TDE= -4.591273 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.102384 tlogG= -0.577255 logG= -0.679639 Density= 3.500478 ETOT(band)= -1.764171 trlgG= -2.457131 logG= -0.679639 TDE= -4.586332 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101517 tlogG= -0.584484 logG= -0.686001 Density= 3.498399 ETOT(band)= -1.770921 trlgG= -2.468047 logG= -0.686001 TDE= -4.589219 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101216 tlogG= -0.587365 logG= -0.688581 Density= 3.497625 ETOT(band)= -1.773579 trlgG= -2.471899 logG= -0.688581 TDE= -4.589869 logGD-logG0= -0.102108 tlogG= -0.578159 logG= -0.680267 Density= 3.499755 ETOT(band)= -1.765449 trlgG= -2.458261 logG= -0.680267 TDE= -4.586255 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101259 tlogG= -0.587518 logG= -0.688777 Density= 3.497952 ETOT(band)= -1.773369 trlgG= -2.471101 logG= -0.688777 TDE= -4.589138 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101843 tlogG= -0.580959 logG= -0.682802 Density= 3.499218 ETOT(band)= -1.767834 trlgG= -2.462219 logG= -0.682802 TDE= -4.587246 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101242 tlogG= -0.591404 logG= -0.692646 Density= 3.497581 ETOT(band)= -1.776237 trlgG= -2.479471 logG= -0.692646 TDE= -4.593341 logGD-logG0= -0.102810 tlogG= -0.573813 logG= -0.676624 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 Density= 3.501405 ETOT(band)= -1.760987 trlgG= -2.452065 logG= -0.676624 TDE= -4.585025 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101285 tlogG= -0.585526 logG= -0.686811 Density= 3.497940 ETOT(band)= -1.772124 trlgG= -2.467980 logG= -0.686811 TDE= -4.587973 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102020 tlogG= -0.578639 logG= -0.680659 Density= 3.499644 ETOT(band)= -1.765899 trlgG= -2.458715 logG= -0.680659 TDE= -4.586227 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101112 tlogG= -0.587832 logG= -0.688945 Density= 3.497435 ETOT(band)= -1.774112 trlgG= -2.471961 logG= -0.688945 TDE= -4.589415 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101402 tlogG= -0.585432 logG= -0.686834 Density= 3.498444 ETOT(band)= -1.771544 trlgG= -2.467082 logG= -0.686834 TDE= -4.587456 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101534 tlogG= -0.582758 logG= -0.684291 Density= 3.498471 ETOT(band)= -1.769739 trlgG= -2.464594 logG= -0.684291 TDE= -4.587534 logGD-logG0= -0.101933 tlogG= -0.578829 logG= -0.680762 Density= 3.499370 ETOT(band)= -1.766279 trlgG= -2.459108 logG= -0.680762 TDE= -4.586298 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102340 tlogG= -0.575544 logG= -0.677884 Density= 3.500275 ETOT(band)= -1.763226 trlgG= -2.454479 logG= -0.677884 TDE= -4.585273 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101815 tlogG= -0.581935 logG= -0.683750 Density= 3.499269 ETOT(band)= -1.768420 trlgG= -2.463637 logG= -0.683750 TDE= -4.587757 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101603 tlogG= -0.584307 logG= -0.685909 Density= 3.498706 ETOT(band)= -1.770508 trlgG= -2.467572 logG= -0.685909 TDE= -4.589082 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101612 tlogG= -0.582836 logG= -0.684449 Density= 3.498889 ETOT(band)= -1.769419 trlgG= -2.463707 logG= -0.684449 TDE= -4.586824 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100916 tlogG= -0.590967 logG= -0.691883 Density= 3.496978 ETOT(band)= -1.776620 trlgG= -2.477128 logG= -0.691883 TDE= -4.591277 logGD-logG0= -0.101357 tlogG= -0.585676 logG= -0.687033 Density= 3.498448 ETOT(band)= -1.771725 trlgG= -2.466331 logG= -0.687033 TDE= -4.586510 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101265 tlogG= -0.585524 logG= -0.686789 Density= 3.497823 ETOT(band)= -1.772203 trlgG= -2.468540 logG= -0.686789 TDE= -4.588462 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101189 tlogG= -0.585875 logG= -0.687064 Density= 3.497702 ETOT(band)= -1.772578 trlgG= -2.468301 logG= -0.687064 TDE= -4.587850 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101098 tlogG= -0.588671 logG= -0.689768 Density= 3.497490 ETOT(band)= -1.774614 trlgG= -2.472977 logG= -0.689768 TDE= -4.589652 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101466 tlogG= -0.585140 logG= -0.686605 Density= 3.498495 ETOT(band)= -1.771276 trlgG= -2.467416 logG= -0.686605 TDE= -4.588061 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101124 tlogG= -0.586173 logG= -0.687297 Density= 3.497653 ETOT(band)= -1.772861 trlgG= -2.467258 logG= -0.687297 TDE= -4.586535 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101216 tlogG= -0.588132 logG= -0.689348 Density= 3.497705 ETOT(band)= -1.774009 trlgG= -2.472996 logG= -0.689348 TDE= -4.590264 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101055 tlogG= -0.590404 logG= -0.691459 Density= 3.497212 ETOT(band)= -1.775978 trlgG= -2.476787 logG= -0.691459 TDE= -4.591548 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101649 tlogG= -0.582252 logG= -0.683901 Density= 3.498713 ETOT(band)= -1.769140 trlgG= -2.464458 logG= -0.683901 TDE= -4.587981 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102572 tlogG= -0.574699 logG= -0.677271 Density= 3.500813 ETOT(band)= -1.762144 trlgG= -2.453186 logG= -0.677271 TDE= -4.585025 logGD-logG0= -0.101054 tlogG= -0.592107 logG= -0.693162 Density= 3.497181 ETOT(band)= -1.777105 trlgG= -2.480078 logG= -0.693162 TDE= -4.593111 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101707 tlogG= -0.582402 logG= -0.684109 Density= 3.499046 ETOT(band)= -1.768954 trlgG= -2.463751 logG= -0.684109 TDE= -4.587334 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102199 tlogG= -0.577980 logG= -0.680178 Density= 3.500034 ETOT(band)= -1.765084 trlgG= -2.457863 logG= -0.680178 TDE= -4.586170 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101385 tlogG= -0.585020 logG= -0.686405 Density= 3.498126 ETOT(band)= -1.771557 trlgG= -2.468216 logG= -0.686405 TDE= -4.588764 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102291 tlogG= -0.577425 logG= -0.679716 Density= 3.500193 ETOT(band)= -1.764521 trlgG= -2.457490 logG= -0.679716 TDE= -4.586386 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101353 tlogG= -0.587557 logG= -0.688910 Density= 3.497990 ETOT(band)= -1.773329 trlgG= -2.472696 logG= -0.688910 TDE= -4.590630 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101257 tlogG= -0.589685 logG= -0.690943 Density= 3.497719 ETOT(band)= -1.774971 trlgG= -2.476001 logG= -0.690943 TDE= -4.591685 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101999 tlogG= -0.580311 logG= -0.682309 Density= 3.499584 ETOT(band)= -1.767034 trlgG= -2.461786 logG= -0.682309 TDE= -4.587599 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101013 tlogG= -0.588244 logG= -0.689257 Density= 3.497293 ETOT(band)= -1.774550 trlgG= -2.471510 logG= -0.689257 TDE= -4.588538 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101344 tlogG= -0.587098 logG= -0.688442 Density= 3.498103 ETOT(band)= -1.772921 trlgG= -2.471055 logG= -0.688442 TDE= -4.589548 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.58349935219 eV TrLogG= -1610.63199462049 eV Ratio to renormalize= 1.000440715709 rho-rho_expected=-0.074007622771 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 4) Finished k-point number 5 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= 105 47) Finished k-point number 48 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834723967791373 0.831854300486399 0.835141112732441 0.831766961169615 0.835308136814886 0.831689087169539 0.834974812229089 0.831744129750672 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100984 tlogG= -0.590820 logG= -0.691804 Density= 3.497205 ETOT(band)= -1.776277 trlgG= -2.476865 logG= -0.691804 TDE= -4.591276 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.100899 tlogG= -0.592775 logG= -0.693674 Density= 3.496890 ETOT(band)= -1.777890 trlgG= -2.480799 logG= -0.693674 TDE= -4.593086 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101260 tlogG= -0.587520 logG= -0.688780 Density= 3.497954 ETOT(band)= -1.773372 trlgG= -2.471106 logG= -0.688780 TDE= -4.589141 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101843 tlogG= -0.580961 logG= -0.682804 Density= 3.499219 ETOT(band)= -1.767836 trlgG= -2.462224 logG= -0.682804 TDE= -4.587250 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102385 tlogG= -0.577257 logG= -0.679642 Density= 3.500479 ETOT(band)= -1.764173 trlgG= -2.457136 logG= -0.679642 TDE= -4.586336 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101266 tlogG= -0.585526 logG= -0.686791 Density= 3.497824 ETOT(band)= -1.772205 trlgG= -2.468545 logG= -0.686791 TDE= -4.588465 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102109 tlogG= -0.578161 logG= -0.680270 Density= 3.499757 ETOT(band)= -1.765452 trlgG= -2.458266 logG= -0.680270 TDE= -4.586258 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101933 tlogG= -0.578831 logG= -0.680764 Density= 3.499372 ETOT(band)= -1.766281 trlgG= -2.459113 logG= -0.680764 TDE= -4.586302 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102199 tlogG= -0.577982 logG= -0.680181 Density= 3.500036 ETOT(band)= -1.765087 trlgG= -2.457868 logG= -0.680181 TDE= -4.586173 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101124 tlogG= -0.586175 logG= -0.687299 Density= 3.497654 ETOT(band)= -1.772863 trlgG= -2.467263 logG= -0.687299 TDE= -4.586539 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101466 tlogG= -0.585142 logG= -0.686608 Density= 3.498497 ETOT(band)= -1.771278 trlgG= -2.467421 logG= -0.686608 TDE= -4.588064 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101207 tlogG= -0.589795 logG= -0.691002 Density= 3.497528 ETOT(band)= -1.775246 trlgG= -2.476352 logG= -0.691002 TDE= -4.591823 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101098 tlogG= -0.588673 logG= -0.689771 Density= 3.497492 ETOT(band)= -1.774617 trlgG= -2.472982 logG= -0.689771 TDE= -4.589656 logGD-logG0= -0.101243 tlogG= -0.591406 logG= -0.692649 Density= 3.497582 ETOT(band)= -1.776239 trlgG= -2.479476 logG= -0.692649 TDE= -4.593344 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101285 tlogG= -0.585528 logG= -0.686814 Density= 3.497941 ETOT(band)= -1.772127 trlgG= -2.467985 logG= -0.686814 TDE= -4.587977 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101816 tlogG= -0.581937 logG= -0.683753 Density= 3.499270 ETOT(band)= -1.768422 trlgG= -2.463642 logG= -0.683753 TDE= -4.587760 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101217 tlogG= -0.587367 logG= -0.688584 Density= 3.497626 ETOT(band)= -1.773582 trlgG= -2.471904 logG= -0.688584 TDE= -4.589873 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101708 tlogG= -0.582404 logG= -0.684112 Density= 3.499047 ETOT(band)= -1.768957 trlgG= -2.463756 logG= -0.684112 TDE= -4.587337 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101345 tlogG= -0.587100 logG= -0.688445 Density= 3.498104 ETOT(band)= -1.772923 trlgG= -2.471060 logG= -0.688445 TDE= -4.589552 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101175 tlogG= -0.587891 logG= -0.689065 Density= 3.497854 ETOT(band)= -1.773732 trlgG= -2.470867 logG= -0.689065 TDE= -4.588537 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101113 tlogG= -0.587834 logG= -0.688947 Density= 3.497436 ETOT(band)= -1.774114 trlgG= -2.471966 logG= -0.688947 TDE= -4.589419 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101534 tlogG= -0.582760 logG= -0.684294 Density= 3.498472 ETOT(band)= -1.769741 trlgG= -2.464599 logG= -0.684294 TDE= -4.587537 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102291 tlogG= -0.577427 logG= -0.679719 Density= 3.500194 ETOT(band)= -1.764523 trlgG= -2.457495 logG= -0.679719 TDE= -4.586389 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101217 tlogG= -0.588134 logG= -0.689351 Density= 3.497707 ETOT(band)= -1.774012 trlgG= -2.473001 logG= -0.689351 TDE= -4.590267 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101479 tlogG= -0.584820 logG= -0.686299 Density= 3.498453 ETOT(band)= -1.771102 trlgG= -2.467712 logG= -0.686299 TDE= -4.588629 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100916 tlogG= -0.590969 logG= -0.691886 Density= 3.496979 ETOT(band)= -1.776623 trlgG= -2.477133 logG= -0.691886 TDE= -4.591280 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101650 tlogG= -0.582254 logG= -0.683903 Density= 3.498714 ETOT(band)= -1.769143 trlgG= -2.464463 logG= -0.683903 TDE= -4.587984 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101358 tlogG= -0.585678 logG= -0.687036 Density= 3.498450 ETOT(band)= -1.771727 trlgG= -2.466336 logG= -0.687036 TDE= -4.586514 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101436 tlogG= -0.583226 logG= -0.684662 Density= 3.498294 ETOT(band)= -1.770263 trlgG= -2.464525 logG= -0.684662 TDE= -4.586951 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101386 tlogG= -0.585022 logG= -0.686408 Density= 3.498127 ETOT(band)= -1.771559 trlgG= -2.468221 logG= -0.686408 TDE= -4.588768 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101190 tlogG= -0.585877 logG= -0.687067 Density= 3.497703 ETOT(band)= -1.772580 trlgG= -2.468306 logG= -0.687067 TDE= -4.587853 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101258 tlogG= -0.589687 logG= -0.690945 Density= 3.497721 ETOT(band)= -1.774973 trlgG= -2.476005 logG= -0.690945 TDE= -4.591688 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101694 tlogG= -0.581554 logG= -0.683248 Density= 3.498911 ETOT(band)= -1.768544 trlgG= -2.462729 logG= -0.683248 TDE= -4.587065 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101385 tlogG= -0.585308 logG= -0.686693 Density= 3.498288 ETOT(band)= -1.771634 trlgG= -2.467550 logG= -0.686693 TDE= -4.587941 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102811 tlogG= -0.573815 logG= -0.676626 Density= 3.501406 ETOT(band)= -1.760990 trlgG= -2.452070 logG= -0.676626 TDE= -4.585029 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101999 tlogG= -0.580313 logG= -0.682312 Density= 3.499585 ETOT(band)= -1.767036 trlgG= -2.461791 logG= -0.682312 TDE= -4.587603 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101603 tlogG= -0.584309 logG= -0.685912 Density= 3.498708 ETOT(band)= -1.770510 trlgG= -2.467577 logG= -0.685912 TDE= -4.589085 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102340 tlogG= -0.575546 logG= -0.677886 Density= 3.500276 ETOT(band)= -1.763228 trlgG= -2.454484 logG= -0.677886 TDE= -4.585277 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101353 tlogG= -0.587559 logG= -0.688912 Density= 3.497991 ETOT(band)= -1.773331 trlgG= -2.472701 logG= -0.688912 TDE= -4.590634 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101517 tlogG= -0.584486 logG= -0.686003 Density= 3.498401 ETOT(band)= -1.770923 trlgG= -2.468052 logG= -0.686003 TDE= -4.589223 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102020 tlogG= -0.578641 logG= -0.680662 Density= 3.499645 ETOT(band)= -1.765901 trlgG= -2.458720 logG= -0.680662 TDE= -4.586231 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101014 tlogG= -0.588246 logG= -0.689259 Density= 3.497294 ETOT(band)= -1.774553 trlgG= -2.471515 logG= -0.689259 TDE= -4.588542 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101055 tlogG= -0.592109 logG= -0.693164 Density= 3.497182 ETOT(band)= -1.777107 trlgG= -2.480083 logG= -0.693164 TDE= -4.593114 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101055 tlogG= -0.590406 logG= -0.691462 Density= 3.497214 ETOT(band)= -1.775980 trlgG= -2.476792 logG= -0.691462 TDE= -4.591551 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102572 tlogG= -0.574701 logG= -0.677273 Density= 3.500815 ETOT(band)= -1.762147 trlgG= -2.453191 logG= -0.677273 TDE= -4.585028 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101403 tlogG= -0.585434 logG= -0.686837 Density= 3.498445 ETOT(band)= -1.771546 trlgG= -2.467087 logG= -0.686837 TDE= -4.587460 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101613 tlogG= -0.582838 logG= -0.684451 Density= 3.498890 ETOT(band)= -1.769422 trlgG= -2.463712 logG= -0.684451 TDE= -4.586828 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101114 tlogG= -0.590277 logG= -0.691391 Density= 3.497424 ETOT(band)= -1.775669 trlgG= -2.476457 logG= -0.691391 TDE= -4.591456 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.58505955049 eV TrLogG= -1610.63593612323 eV Ratio to renormalize= 1.000440350872 rho-rho_expected=-0.073946384130 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 36) Finished k-point number 37 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= 104 27) Finished k-point number 28 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 0) Finished k-point number 1 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= 0.834724626092431 0.831854968107684 0.835141767731918 0.831767630374905 0.835308790138687 0.831689758106578 0.834975468535493 0.831744799979210 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101863 tlogG= -0.580312 logG= -0.682176 Density= 3.499558 ETOT(band)= -1.767059 trlgG= -2.461676 logG= -0.682176 TDE= -4.587604 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100848 tlogG= -0.590819 logG= -0.691667 Density= 3.497174 ETOT(band)= -1.776303 trlgG= -2.476754 logG= -0.691667 TDE= -4.591277 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.101070 tlogG= -0.589795 logG= -0.690865 Density= 3.497497 ETOT(band)= -1.775272 trlgG= -2.476240 logG= -0.690865 TDE= -4.591824 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101558 tlogG= -0.581553 logG= -0.683111 Density= 3.498883 ETOT(band)= -1.768569 trlgG= -2.462617 logG= -0.683111 TDE= -4.587066 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102249 tlogG= -0.577256 logG= -0.679506 Density= 3.500454 ETOT(band)= -1.764195 trlgG= -2.457020 logG= -0.679506 TDE= -4.586337 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100763 tlogG= -0.592775 logG= -0.693537 Density= 3.496858 ETOT(band)= -1.777917 trlgG= -2.480688 logG= -0.693537 TDE= -4.593086 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101124 tlogG= -0.587519 logG= -0.688643 Density= 3.497924 ETOT(band)= -1.773396 trlgG= -2.470994 logG= -0.688643 TDE= -4.589142 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101343 tlogG= -0.584819 logG= -0.686163 Density= 3.498424 ETOT(band)= -1.771126 trlgG= -2.467599 logG= -0.686163 TDE= -4.588630 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101398 tlogG= -0.582759 logG= -0.684157 Density= 3.498443 ETOT(band)= -1.769767 trlgG= -2.464487 logG= -0.684157 TDE= -4.587538 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101149 tlogG= -0.585528 logG= -0.686677 Density= 3.497910 ETOT(band)= -1.772152 trlgG= -2.467873 logG= -0.686677 TDE= -4.587977 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101797 tlogG= -0.578831 logG= -0.680628 Density= 3.499344 ETOT(band)= -1.766305 trlgG= -2.459000 logG= -0.680628 TDE= -4.586303 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101129 tlogG= -0.585525 logG= -0.686654 Density= 3.497793 ETOT(band)= -1.772232 trlgG= -2.468434 logG= -0.686654 TDE= -4.588466 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101707 tlogG= -0.580961 logG= -0.682668 Density= 3.499191 ETOT(band)= -1.767860 trlgG= -2.462110 logG= -0.682668 TDE= -4.587251 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102064 tlogG= -0.577981 logG= -0.680045 Density= 3.500010 ETOT(band)= -1.765110 trlgG= -2.457753 logG= -0.680045 TDE= -4.586174 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101080 tlogG= -0.587366 logG= -0.688447 Density= 3.497595 ETOT(band)= -1.773608 trlgG= -2.471793 logG= -0.688447 TDE= -4.589874 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101973 tlogG= -0.578160 logG= -0.680133 Density= 3.499730 ETOT(band)= -1.765475 trlgG= -2.458151 logG= -0.680133 TDE= -4.586259 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101038 tlogG= -0.587890 logG= -0.688929 Density= 3.497824 ETOT(band)= -1.773757 trlgG= -2.470755 logG= -0.688929 TDE= -4.588538 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101381 tlogG= -0.584485 logG= -0.685866 Density= 3.498371 ETOT(band)= -1.770948 trlgG= -2.467940 logG= -0.685866 TDE= -4.589224 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100919 tlogG= -0.592109 logG= -0.693028 Density= 3.497151 ETOT(band)= -1.777133 trlgG= -2.479972 logG= -0.693028 TDE= -4.593115 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101467 tlogG= -0.584308 logG= -0.685775 Density= 3.498680 ETOT(band)= -1.770534 trlgG= -2.467464 logG= -0.685775 TDE= -4.589086 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101300 tlogG= -0.583225 logG= -0.684525 Density= 3.498264 ETOT(band)= -1.770289 trlgG= -2.464413 logG= -0.684525 TDE= -4.586952 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100877 tlogG= -0.588245 logG= -0.689122 Density= 3.497262 ETOT(band)= -1.774579 trlgG= -2.471405 logG= -0.689122 TDE= -4.588543 logGD-logG0= -0.101221 tlogG= -0.585678 logG= -0.686899 Density= 3.498420 ETOT(band)= -1.771751 trlgG= -2.466224 logG= -0.686899 TDE= -4.586514 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101122 tlogG= -0.589687 logG= -0.690809 Density= 3.497691 ETOT(band)= -1.774998 trlgG= -2.475893 logG= -0.690809 TDE= -4.591689 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101885 tlogG= -0.578641 logG= -0.680525 Density= 3.499619 ETOT(band)= -1.765924 trlgG= -2.458606 logG= -0.680525 TDE= -4.586232 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100919 tlogG= -0.590406 logG= -0.691325 Density= 3.497182 ETOT(band)= -1.776006 trlgG= -2.476681 logG= -0.691325 TDE= -4.591552 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101477 tlogG= -0.582838 logG= -0.684315 Density= 3.498862 ETOT(band)= -1.769445 trlgG= -2.463599 logG= -0.684315 TDE= -4.586829 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100780 tlogG= -0.590969 logG= -0.691749 Density= 3.496947 ETOT(band)= -1.776650 trlgG= -2.477022 logG= -0.691749 TDE= -4.591281 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102156 tlogG= -0.577427 logG= -0.679582 Density= 3.500169 ETOT(band)= -1.764546 trlgG= -2.457380 logG= -0.679582 TDE= -4.586390 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101107 tlogG= -0.591406 logG= -0.692512 Density= 3.497553 ETOT(band)= -1.776264 trlgG= -2.479364 logG= -0.692512 TDE= -4.593345 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101250 tlogG= -0.585021 logG= -0.686271 Density= 3.498097 ETOT(band)= -1.771585 trlgG= -2.468109 logG= -0.686271 TDE= -4.588768 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100962 tlogG= -0.588672 logG= -0.689634 Density= 3.497461 ETOT(band)= -1.774643 trlgG= -2.472871 logG= -0.689634 TDE= -4.589656 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101330 tlogG= -0.585141 logG= -0.686471 Density= 3.498468 ETOT(band)= -1.771302 trlgG= -2.467308 logG= -0.686471 TDE= -4.588065 logGD-logG0= -0.101267 tlogG= -0.585433 logG= -0.686700 Density= 3.498416 ETOT(band)= -1.771570 trlgG= -2.466974 logG= -0.686700 TDE= -4.587461 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101053 tlogG= -0.585876 logG= -0.686930 Density= 3.497672 ETOT(band)= -1.772607 trlgG= -2.468195 logG= -0.686930 TDE= -4.587854 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.101209 tlogG= -0.587099 logG= -0.688308 Density= 3.498075 ETOT(band)= -1.772948 trlgG= -2.470948 logG= -0.688308 TDE= -4.589552 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102676 tlogG= -0.573814 logG= -0.676490 Density= 3.501383 ETOT(band)= -1.761011 trlgG= -2.451953 logG= -0.676490 TDE= -4.585030 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.100988 tlogG= -0.586175 logG= -0.687162 Density= 3.497622 ETOT(band)= -1.772890 trlgG= -2.467153 logG= -0.687162 TDE= -4.586540 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100978 tlogG= -0.590277 logG= -0.691255 Density= 3.497393 ETOT(band)= -1.775695 trlgG= -2.476346 logG= -0.691255 TDE= -4.591457 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101680 tlogG= -0.581936 logG= -0.683616 Density= 3.499243 ETOT(band)= -1.768445 trlgG= -2.463528 logG= -0.683616 TDE= -4.587761 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101081 tlogG= -0.588134 logG= -0.689214 Density= 3.497676 ETOT(band)= -1.774037 trlgG= -2.472890 logG= -0.689214 TDE= -4.590268 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101249 tlogG= -0.585307 logG= -0.686556 Density= 3.498258 ETOT(band)= -1.771659 trlgG= -2.467438 logG= -0.686556 TDE= -4.587941 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102437 tlogG= -0.574700 logG= -0.677137 Density= 3.500791 ETOT(band)= -1.762169 trlgG= -2.453075 logG= -0.677137 TDE= -4.585029 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101513 tlogG= -0.582253 logG= -0.683767 Density= 3.498685 ETOT(band)= -1.769168 trlgG= -2.464350 logG= -0.683767 TDE= -4.587985 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100976 tlogG= -0.587834 logG= -0.688810 Density= 3.497405 ETOT(band)= -1.774140 trlgG= -2.471855 logG= -0.688810 TDE= -4.589420 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101572 tlogG= -0.582404 logG= -0.683976 Density= 3.499020 ETOT(band)= -1.768980 trlgG= -2.463643 logG= -0.683976 TDE= -4.587338 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101217 tlogG= -0.587559 logG= -0.688776 Density= 3.497962 ETOT(band)= -1.773356 trlgG= -2.472588 logG= -0.688776 TDE= -4.590634 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102205 tlogG= -0.575545 logG= -0.677750 Density= 3.500251 ETOT(band)= -1.763251 trlgG= -2.454369 logG= -0.677750 TDE= -4.585277 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1156.60120650635 eV TrLogG= -1610.54719712930 eV Ratio to renormalize= 1.000448647152 rho-rho_expected=-0.075338920930 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 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= 105 1) Finished k-point number 2 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 38) Finished k-point number 39 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= 0.834726657991132 0.831856985990808 0.835143800869061 0.831769649758533 0.835310799671060 0.831691783493559 0.834977493089793 0.831746818355248 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100989 tlogG= -0.586176 logG= -0.687165 Density= 3.497625 ETOT(band)= -1.772892 trlgG= -2.467157 logG= -0.687165 TDE= -4.586544 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101040 tlogG= -0.587892 logG= -0.688931 Density= 3.497826 ETOT(band)= -1.773759 trlgG= -2.470760 logG= -0.688931 TDE= -4.588542 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100920 tlogG= -0.592111 logG= -0.693031 Density= 3.497154 ETOT(band)= -1.777135 trlgG= -2.479976 logG= -0.693031 TDE= -4.593119 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101082 tlogG= -0.587368 logG= -0.688450 Density= 3.497598 ETOT(band)= -1.773609 trlgG= -2.471797 logG= -0.688450 TDE= -4.589878 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.100764 tlogG= -0.592776 logG= -0.693540 Density= 3.496860 ETOT(band)= -1.777919 trlgG= -2.480692 logG= -0.693540 TDE= -4.593090 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102677 tlogG= -0.573816 logG= -0.676493 Density= 3.501386 ETOT(band)= -1.761013 trlgG= -2.451957 logG= -0.676493 TDE= -4.585034 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.102250 tlogG= -0.577258 logG= -0.679508 Density= 3.500457 ETOT(band)= -1.764197 trlgG= -2.457025 logG= -0.679508 TDE= -4.586341 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101383 tlogG= -0.584487 logG= -0.685869 Density= 3.498374 ETOT(band)= -1.770950 trlgG= -2.467944 logG= -0.685869 TDE= -4.589228 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101150 tlogG= -0.585530 logG= -0.686680 Density= 3.497913 ETOT(band)= -1.772154 trlgG= -2.467878 logG= -0.686680 TDE= -4.587982 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101559 tlogG= -0.581555 logG= -0.683114 Density= 3.498886 ETOT(band)= -1.768570 trlgG= -2.462622 logG= -0.683114 TDE= -4.587070 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102438 tlogG= -0.574702 logG= -0.677140 Density= 3.500793 ETOT(band)= -1.762171 trlgG= -2.453079 logG= -0.677140 TDE= -4.585033 logGD-logG0= -0.101708 tlogG= -0.580962 logG= -0.682671 Density= 3.499194 ETOT(band)= -1.767862 trlgG= -2.462115 logG= -0.682671 TDE= -4.587255 logGD-logG0= -0.101082 tlogG= -0.588135 logG= -0.689217 Density= 3.497679 ETOT(band)= -1.774039 trlgG= -2.472894 logG= -0.689217 TDE= -4.590272 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101108 tlogG= -0.591407 logG= -0.692515 Density= 3.497556 ETOT(band)= -1.776266 trlgG= -2.479368 logG= -0.692515 TDE= -4.593348 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101131 tlogG= -0.585527 logG= -0.686657 Density= 3.497796 ETOT(band)= -1.772234 trlgG= -2.468439 logG= -0.686657 TDE= -4.588470 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101210 tlogG= -0.587101 logG= -0.688311 Density= 3.498078 ETOT(band)= -1.772949 trlgG= -2.470953 logG= -0.688311 TDE= -4.589557 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101125 tlogG= -0.587521 logG= -0.688646 Density= 3.497927 ETOT(band)= -1.773398 trlgG= -2.470998 logG= -0.688646 TDE= -4.589146 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101250 tlogG= -0.585309 logG= -0.686559 Density= 3.498261 ETOT(band)= -1.771660 trlgG= -2.467443 logG= -0.686559 TDE= -4.587946 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101974 tlogG= -0.578162 logG= -0.680136 Density= 3.499733 ETOT(band)= -1.765477 trlgG= -2.458156 logG= -0.680136 TDE= -4.586263 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.100849 tlogG= -0.590821 logG= -0.691670 Density= 3.497177 ETOT(band)= -1.776304 trlgG= -2.476759 logG= -0.691670 TDE= -4.591281 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.101345 tlogG= -0.584821 logG= -0.686165 Density= 3.498427 ETOT(band)= -1.771128 trlgG= -2.467604 logG= -0.686165 TDE= -4.588634 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101469 tlogG= -0.584310 logG= -0.685778 Density= 3.498682 ETOT(band)= -1.770536 trlgG= -2.467469 logG= -0.685778 TDE= -4.589090 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101072 tlogG= -0.589797 logG= -0.690868 Density= 3.497500 ETOT(band)= -1.775273 trlgG= -2.476244 logG= -0.690868 TDE= -4.591827 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101514 tlogG= -0.582255 logG= -0.683769 Density= 3.498688 ETOT(band)= -1.769169 trlgG= -2.464355 logG= -0.683769 TDE= -4.587989 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101865 tlogG= -0.580314 logG= -0.682179 Density= 3.499561 ETOT(band)= -1.767061 trlgG= -2.461681 logG= -0.682179 TDE= -4.587608 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100963 tlogG= -0.588674 logG= -0.689637 Density= 3.497463 ETOT(band)= -1.774644 trlgG= -2.472875 logG= -0.689637 TDE= -4.589660 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101268 tlogG= -0.585435 logG= -0.686703 Density= 3.498419 ETOT(band)= -1.771571 trlgG= -2.466979 logG= -0.686703 TDE= -4.587465 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102206 tlogG= -0.575547 logG= -0.677753 Density= 3.500254 ETOT(band)= -1.763252 trlgG= -2.454374 logG= -0.677753 TDE= -4.585282 logGD-logG0= -0.101301 tlogG= -0.583227 logG= -0.684528 Density= 3.498267 ETOT(band)= -1.770290 trlgG= -2.464418 logG= -0.684528 TDE= -4.586956 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101478 tlogG= -0.582840 logG= -0.684318 Density= 3.498865 ETOT(band)= -1.769447 trlgG= -2.463604 logG= -0.684318 TDE= -4.586833 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102065 tlogG= -0.577983 logG= -0.680048 Density= 3.500013 ETOT(band)= -1.765111 trlgG= -2.457758 logG= -0.680048 TDE= -4.586178 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101681 tlogG= -0.581938 logG= -0.683619 Density= 3.499246 ETOT(band)= -1.768447 trlgG= -2.463533 logG= -0.683619 TDE= -4.587765 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101123 tlogG= -0.589689 logG= -0.690812 Density= 3.497694 ETOT(band)= -1.775000 trlgG= -2.475898 logG= -0.690812 TDE= -4.591693 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100979 tlogG= -0.590278 logG= -0.691257 Density= 3.497396 ETOT(band)= -1.775697 trlgG= -2.476350 logG= -0.691257 TDE= -4.591461 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100977 tlogG= -0.587836 logG= -0.688813 Density= 3.497407 ETOT(band)= -1.774142 trlgG= -2.471860 logG= -0.688813 TDE= -4.589424 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100920 tlogG= -0.590408 logG= -0.691328 Density= 3.497185 ETOT(band)= -1.776008 trlgG= -2.476685 logG= -0.691328 TDE= -4.591556 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101218 tlogG= -0.587560 logG= -0.688779 Density= 3.497965 ETOT(band)= -1.773358 trlgG= -2.472593 logG= -0.688779 TDE= -4.590638 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101223 tlogG= -0.585680 logG= -0.686902 Density= 3.498423 ETOT(band)= -1.771753 trlgG= -2.466229 logG= -0.686902 TDE= -4.586519 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100781 tlogG= -0.590971 logG= -0.691751 Density= 3.496950 ETOT(band)= -1.776652 trlgG= -2.477027 logG= -0.691751 TDE= -4.591285 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101399 tlogG= -0.582761 logG= -0.684160 Density= 3.498445 ETOT(band)= -1.769768 trlgG= -2.464492 logG= -0.684160 TDE= -4.587542 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101054 tlogG= -0.585878 logG= -0.686933 Density= 3.497674 ETOT(band)= -1.772609 trlgG= -2.468200 logG= -0.686933 TDE= -4.587858 logGD-logG0= -0.102157 tlogG= -0.577428 logG= -0.679585 Density= 3.500171 ETOT(band)= -1.764548 trlgG= -2.457385 logG= -0.679585 TDE= -4.586394 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101251 tlogG= -0.585023 logG= -0.686274 Density= 3.498100 ETOT(band)= -1.771587 trlgG= -2.468114 logG= -0.686274 TDE= -4.588773 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101332 tlogG= -0.585143 logG= -0.686474 Density= 3.498471 ETOT(band)= -1.771303 trlgG= -2.467313 logG= -0.686474 TDE= -4.588069 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100879 tlogG= -0.588247 logG= -0.689125 Density= 3.497265 ETOT(band)= -1.774581 trlgG= -2.471410 logG= -0.689125 TDE= -4.588547 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101799 tlogG= -0.578832 logG= -0.680631 Density= 3.499347 ETOT(band)= -1.766307 trlgG= -2.459005 logG= -0.680631 TDE= -4.586307 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101886 tlogG= -0.578642 logG= -0.680528 Density= 3.499621 ETOT(band)= -1.765926 trlgG= -2.458611 logG= -0.680528 TDE= -4.586236 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101573 tlogG= -0.582405 logG= -0.683978 Density= 3.499023 ETOT(band)= -1.768982 trlgG= -2.463648 logG= -0.683978 TDE= -4.587342 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.60230710093 eV TrLogG= -1610.55174159712 eV Ratio to renormalize= 1.000447843828 rho-rho_expected=-0.075204083451 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 105 37) Finished k-point number 38 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 4) Finished k-point number 5 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 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 18) Finished k-point number 19 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834726760294049 0.831857125050005 0.835143907318689 0.831769786907937 0.835310900754396 0.831691923112062 0.834977595605139 0.831746957573680 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.102108 tlogG= -0.578832 logG= -0.680939 Density= 3.499416 ETOT(band)= -1.766245 trlgG= -2.459257 logG= -0.680939 TDE= -4.586307 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101158 tlogG= -0.590820 logG= -0.691978 Density= 3.497248 ETOT(band)= -1.776242 trlgG= -2.477010 logG= -0.691978 TDE= -4.591280 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101298 tlogG= -0.586176 logG= -0.687474 Density= 3.497697 ETOT(band)= -1.772828 trlgG= -2.467408 logG= -0.687474 TDE= -4.586543 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102018 tlogG= -0.580962 logG= -0.682979 Density= 3.499263 ETOT(band)= -1.767800 trlgG= -2.462368 logG= -0.682979 TDE= -4.587254 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101417 tlogG= -0.591406 logG= -0.692824 Density= 3.497624 ETOT(band)= -1.776205 trlgG= -2.479620 logG= -0.692824 TDE= -4.593348 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101868 tlogG= -0.581554 logG= -0.683423 Density= 3.498955 ETOT(band)= -1.768508 trlgG= -2.462874 logG= -0.683423 TDE= -4.587070 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101073 tlogG= -0.592775 logG= -0.693849 Density= 3.496932 ETOT(band)= -1.777855 trlgG= -2.480943 logG= -0.693849 TDE= -4.593090 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101692 tlogG= -0.584486 logG= -0.686178 Density= 3.498444 ETOT(band)= -1.770888 trlgG= -2.468196 logG= -0.686178 TDE= -4.589227 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101432 tlogG= -0.589688 logG= -0.691120 Density= 3.497763 ETOT(band)= -1.774938 trlgG= -2.476150 logG= -0.691120 TDE= -4.591692 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101349 tlogG= -0.587891 logG= -0.689240 Density= 3.497897 ETOT(band)= -1.773696 trlgG= -2.471011 logG= -0.689240 TDE= -4.588541 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101559 tlogG= -0.585308 logG= -0.686868 Density= 3.498331 ETOT(band)= -1.771598 trlgG= -2.467695 logG= -0.686868 TDE= -4.587945 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101188 tlogG= -0.588246 logG= -0.689434 Density= 3.497337 ETOT(band)= -1.774518 trlgG= -2.471660 logG= -0.689434 TDE= -4.588546 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101459 tlogG= -0.585529 logG= -0.686988 Density= 3.497984 ETOT(band)= -1.772091 trlgG= -2.468130 logG= -0.686988 TDE= -4.587981 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101440 tlogG= -0.585526 logG= -0.686966 Density= 3.497867 ETOT(band)= -1.772170 trlgG= -2.468690 logG= -0.686966 TDE= -4.588470 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102283 tlogG= -0.578161 logG= -0.680445 Density= 3.499802 ETOT(band)= -1.765415 trlgG= -2.458409 logG= -0.680445 TDE= -4.586262 logGD-logG0= -0.101560 tlogG= -0.585022 logG= -0.686582 Density= 3.498171 ETOT(band)= -1.771524 trlgG= -2.468365 logG= -0.686582 TDE= -4.588772 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101272 tlogG= -0.588673 logG= -0.689945 Density= 3.497535 ETOT(band)= -1.774581 trlgG= -2.473127 logG= -0.689945 TDE= -4.589660 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101391 tlogG= -0.588134 logG= -0.689526 Density= 3.497749 ETOT(band)= -1.773976 trlgG= -2.473146 logG= -0.689526 TDE= -4.590272 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102195 tlogG= -0.578642 logG= -0.680837 Density= 3.499690 ETOT(band)= -1.765864 trlgG= -2.458864 logG= -0.680837 TDE= -4.586236 logGD-logG0= -0.101391 tlogG= -0.587367 logG= -0.688758 Density= 3.497669 ETOT(band)= -1.773547 trlgG= -2.472049 logG= -0.688758 TDE= -4.589877 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102747 tlogG= -0.574701 logG= -0.677449 Density= 3.500860 ETOT(band)= -1.762110 trlgG= -2.453334 logG= -0.677449 TDE= -4.585033 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101434 tlogG= -0.587520 logG= -0.688955 Density= 3.497997 ETOT(band)= -1.773336 trlgG= -2.471250 logG= -0.688955 TDE= -4.589146 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101090 tlogG= -0.590970 logG= -0.692060 Density= 3.497022 ETOT(band)= -1.776588 trlgG= -2.477277 logG= -0.692060 TDE= -4.591285 logGD-logG0= -0.101778 tlogG= -0.584309 logG= -0.686087 Density= 3.498751 ETOT(band)= -1.770474 trlgG= -2.467721 logG= -0.686087 TDE= -4.589090 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101824 tlogG= -0.582254 logG= -0.684078 Density= 3.498758 ETOT(band)= -1.769107 trlgG= -2.464607 logG= -0.684078 TDE= -4.587989 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101610 tlogG= -0.583226 logG= -0.684837 Density= 3.498338 ETOT(band)= -1.770227 trlgG= -2.464669 logG= -0.684837 TDE= -4.586956 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102374 tlogG= -0.577982 logG= -0.680356 Density= 3.500081 ETOT(band)= -1.765050 trlgG= -2.458011 logG= -0.680356 TDE= -4.586178 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101519 tlogG= -0.587100 logG= -0.688619 Density= 3.498147 ETOT(band)= -1.772887 trlgG= -2.471205 logG= -0.688619 TDE= -4.589556 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102174 tlogG= -0.580313 logG= -0.682487 Density= 3.499629 ETOT(band)= -1.767000 trlgG= -2.461935 logG= -0.682487 TDE= -4.587607 logGD-logG0= -0.101364 tlogG= -0.585877 logG= -0.687241 Density= 3.497746 ETOT(band)= -1.772545 trlgG= -2.468450 logG= -0.687241 TDE= -4.587858 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101381 tlogG= -0.589796 logG= -0.691177 Density= 3.497570 ETOT(band)= -1.775211 trlgG= -2.476496 logG= -0.691177 TDE= -4.591827 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101287 tlogG= -0.587835 logG= -0.689122 Density= 3.497479 ETOT(band)= -1.774079 trlgG= -2.472111 logG= -0.689122 TDE= -4.589423 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101709 tlogG= -0.582760 logG= -0.684468 Density= 3.498516 ETOT(band)= -1.769706 trlgG= -2.464744 logG= -0.684468 TDE= -4.587542 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102986 tlogG= -0.573815 logG= -0.676801 Density= 3.501452 ETOT(band)= -1.760953 trlgG= -2.452213 logG= -0.676801 TDE= -4.585033 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101288 tlogG= -0.590278 logG= -0.691566 Density= 3.497466 ETOT(band)= -1.775634 trlgG= -2.476602 logG= -0.691566 TDE= -4.591460 logGD-logG0= -0.101528 tlogG= -0.587559 logG= -0.689087 Density= 3.498034 ETOT(band)= -1.773296 trlgG= -2.472845 logG= -0.689087 TDE= -4.590638 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101229 tlogG= -0.592110 logG= -0.693339 Density= 3.497224 ETOT(band)= -1.777072 trlgG= -2.480227 logG= -0.693339 TDE= -4.593118 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101229 tlogG= -0.590407 logG= -0.691636 Density= 3.497256 ETOT(band)= -1.775945 trlgG= -2.476936 logG= -0.691636 TDE= -4.591555 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102466 tlogG= -0.577428 logG= -0.679894 Density= 3.500239 ETOT(band)= -1.764486 trlgG= -2.457638 logG= -0.679894 TDE= -4.586394 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101990 tlogG= -0.581937 logG= -0.683927 Density= 3.499314 ETOT(band)= -1.768386 trlgG= -2.463785 logG= -0.683927 TDE= -4.587765 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101577 tlogG= -0.585434 logG= -0.687011 Density= 3.498489 ETOT(band)= -1.771509 trlgG= -2.467231 logG= -0.687011 TDE= -4.587465 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102515 tlogG= -0.575546 logG= -0.678061 Density= 3.500322 ETOT(band)= -1.763191 trlgG= -2.454628 logG= -0.678061 TDE= -4.585281 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102559 tlogG= -0.577257 logG= -0.679817 Density= 3.500524 ETOT(band)= -1.764136 trlgG= -2.457279 logG= -0.679817 TDE= -4.586340 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101532 tlogG= -0.585679 logG= -0.687211 Density= 3.498494 ETOT(band)= -1.771691 trlgG= -2.466481 logG= -0.687211 TDE= -4.586518 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101882 tlogG= -0.582405 logG= -0.684287 Density= 3.499092 ETOT(band)= -1.768920 trlgG= -2.463900 logG= -0.684287 TDE= -4.587342 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101654 tlogG= -0.584820 logG= -0.686474 Density= 3.498496 ETOT(band)= -1.771066 trlgG= -2.467856 logG= -0.686474 TDE= -4.588633 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101641 tlogG= -0.585142 logG= -0.686783 Density= 3.498541 ETOT(band)= -1.771242 trlgG= -2.467566 logG= -0.686783 TDE= -4.588069 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101787 tlogG= -0.582839 logG= -0.684626 Density= 3.498934 ETOT(band)= -1.769385 trlgG= -2.463856 logG= -0.684626 TDE= -4.586833 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 Sum of eigenvalues= -1156.56163345197 eV TrLogG= -1610.75294230747 eV Ratio to renormalize= 1.000427890533 rho-rho_expected=-0.071854863466 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 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= 105 18) Finished k-point number 19 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 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 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834728016740517 0.831858372890425 0.835145199285721 0.831771018336042 0.835312144461640 0.831693175738568 0.834978847887485 0.831748206517121 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101611 tlogG= -0.583227 logG= -0.684838 Density= 3.498339 ETOT(band)= -1.770228 trlgG= -2.464671 logG= -0.684838 TDE= -4.586958 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101392 tlogG= -0.587368 logG= -0.688759 Density= 3.497671 ETOT(band)= -1.773547 trlgG= -2.472051 logG= -0.688759 TDE= -4.589880 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101991 tlogG= -0.581938 logG= -0.683929 Density= 3.499316 ETOT(band)= -1.768387 trlgG= -2.463788 logG= -0.683929 TDE= -4.587767 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101273 tlogG= -0.588673 logG= -0.689946 Density= 3.497536 ETOT(band)= -1.774582 trlgG= -2.473129 logG= -0.689946 TDE= -4.589662 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101560 tlogG= -0.585309 logG= -0.686869 Density= 3.498333 ETOT(band)= -1.771599 trlgG= -2.467697 logG= -0.686869 TDE= -4.587948 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101788 tlogG= -0.582839 logG= -0.684627 Density= 3.498936 ETOT(band)= -1.769386 trlgG= -2.463859 logG= -0.684627 TDE= -4.586835 logGD-logG0= -0.101869 tlogG= -0.581555 logG= -0.683424 Density= 3.498957 ETOT(band)= -1.768509 trlgG= -2.462876 logG= -0.683424 TDE= -4.587073 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101350 tlogG= -0.587891 logG= -0.689241 Density= 3.497899 ETOT(band)= -1.773697 trlgG= -2.471013 logG= -0.689241 TDE= -4.588544 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101159 tlogG= -0.590820 logG= -0.691979 Density= 3.497250 ETOT(band)= -1.776242 trlgG= -2.477012 logG= -0.691979 TDE= -4.591282 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101460 tlogG= -0.585529 logG= -0.686989 Density= 3.497986 ETOT(band)= -1.772092 trlgG= -2.468132 logG= -0.686989 TDE= -4.587984 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101441 tlogG= -0.585526 logG= -0.686967 Density= 3.497869 ETOT(band)= -1.772171 trlgG= -2.468692 logG= -0.686967 TDE= -4.588472 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101418 tlogG= -0.591407 logG= -0.692825 Density= 3.497626 ETOT(band)= -1.776205 trlgG= -2.479622 logG= -0.692825 TDE= -4.593350 logGD-logG0= -0.101561 tlogG= -0.585023 logG= -0.686584 Density= 3.498172 ETOT(band)= -1.771525 trlgG= -2.468367 logG= -0.686584 TDE= -4.588775 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102108 tlogG= -0.578832 logG= -0.680940 Density= 3.499418 ETOT(band)= -1.766246 trlgG= -2.459260 logG= -0.680940 TDE= -4.586309 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101825 tlogG= -0.582255 logG= -0.684079 Density= 3.498759 ETOT(band)= -1.769108 trlgG= -2.464609 logG= -0.684079 TDE= -4.587991 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101654 tlogG= -0.584820 logG= -0.686475 Density= 3.498498 ETOT(band)= -1.771067 trlgG= -2.467858 logG= -0.686475 TDE= -4.588636 logGD-logG0= -0.101299 tlogG= -0.586176 logG= -0.687475 Density= 3.497699 ETOT(band)= -1.772829 trlgG= -2.467410 logG= -0.687475 TDE= -4.586546 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101435 tlogG= -0.587521 logG= -0.688956 Density= 3.497999 ETOT(band)= -1.773336 trlgG= -2.471252 logG= -0.688956 TDE= -4.589148 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101074 tlogG= -0.592776 logG= -0.693850 Density= 3.496933 ETOT(band)= -1.777856 trlgG= -2.480945 logG= -0.693850 TDE= -4.593092 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101520 tlogG= -0.587100 logG= -0.688620 Density= 3.498149 ETOT(band)= -1.772888 trlgG= -2.471207 logG= -0.688620 TDE= -4.589558 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102284 tlogG= -0.578162 logG= -0.680446 Density= 3.499803 ETOT(band)= -1.765416 trlgG= -2.458411 logG= -0.680446 TDE= -4.586265 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101189 tlogG= -0.588246 logG= -0.689435 Density= 3.497338 ETOT(band)= -1.774518 trlgG= -2.471662 logG= -0.689435 TDE= -4.588548 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102174 tlogG= -0.580314 logG= -0.682488 Density= 3.499631 ETOT(band)= -1.767000 trlgG= -2.461937 logG= -0.682488 TDE= -4.587610 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101381 tlogG= -0.589796 logG= -0.691178 Density= 3.497572 ETOT(band)= -1.775212 trlgG= -2.476498 logG= -0.691178 TDE= -4.591829 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101230 tlogG= -0.592110 logG= -0.693340 Density= 3.497226 ETOT(band)= -1.777073 trlgG= -2.480229 logG= -0.693340 TDE= -4.593120 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101230 tlogG= -0.590407 logG= -0.691637 Density= 3.497258 ETOT(band)= -1.775946 trlgG= -2.476938 logG= -0.691637 TDE= -4.591557 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101641 tlogG= -0.585142 logG= -0.686784 Density= 3.498542 ETOT(band)= -1.771243 trlgG= -2.467568 logG= -0.686784 TDE= -4.588072 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102516 tlogG= -0.575547 logG= -0.678063 Density= 3.500323 ETOT(band)= -1.763192 trlgG= -2.454630 logG= -0.678063 TDE= -4.585284 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101533 tlogG= -0.585679 logG= -0.687212 Density= 3.498495 ETOT(band)= -1.771692 trlgG= -2.466483 logG= -0.687212 TDE= -4.586521 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101578 tlogG= -0.585435 logG= -0.687012 Density= 3.498491 ETOT(band)= -1.771510 trlgG= -2.467234 logG= -0.687012 TDE= -4.587467 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102018 tlogG= -0.580962 logG= -0.682980 Density= 3.499265 ETOT(band)= -1.767801 trlgG= -2.462370 logG= -0.682980 TDE= -4.587257 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101091 tlogG= -0.590970 logG= -0.692061 Density= 3.497023 ETOT(band)= -1.776589 trlgG= -2.477279 logG= -0.692061 TDE= -4.591287 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102375 tlogG= -0.577982 logG= -0.680357 Density= 3.500082 ETOT(band)= -1.765051 trlgG= -2.458013 logG= -0.680357 TDE= -4.586180 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101778 tlogG= -0.584309 logG= -0.686088 Density= 3.498753 ETOT(band)= -1.770475 trlgG= -2.467723 logG= -0.686088 TDE= -4.589092 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101289 tlogG= -0.590278 logG= -0.691567 Density= 3.497468 ETOT(band)= -1.775635 trlgG= -2.476604 logG= -0.691567 TDE= -4.591462 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102987 tlogG= -0.573816 logG= -0.676802 Density= 3.501453 ETOT(band)= -1.760953 trlgG= -2.452215 logG= -0.676802 TDE= -4.585036 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101883 tlogG= -0.582405 logG= -0.684288 Density= 3.499093 ETOT(band)= -1.768921 trlgG= -2.463902 logG= -0.684288 TDE= -4.587344 logGD-logG0= -0.102748 tlogG= -0.574702 logG= -0.677450 Density= 3.500862 ETOT(band)= -1.762111 trlgG= -2.453336 logG= -0.677450 TDE= -4.585035 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101433 tlogG= -0.589688 logG= -0.691121 Density= 3.497765 ETOT(band)= -1.774939 trlgG= -2.476152 logG= -0.691121 TDE= -4.591694 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101692 tlogG= -0.584486 logG= -0.686179 Density= 3.498446 ETOT(band)= -1.770889 trlgG= -2.468199 logG= -0.686179 TDE= -4.589230 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101287 tlogG= -0.587835 logG= -0.689123 Density= 3.497480 ETOT(band)= -1.774080 trlgG= -2.472113 logG= -0.689123 TDE= -4.589426 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101365 tlogG= -0.585878 logG= -0.687242 Density= 3.497748 ETOT(band)= -1.772546 trlgG= -2.468453 logG= -0.687242 TDE= -4.587860 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101709 tlogG= -0.582760 logG= -0.684470 Density= 3.498518 ETOT(band)= -1.769706 trlgG= -2.464746 logG= -0.684470 TDE= -4.587544 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101528 tlogG= -0.587560 logG= -0.689088 Density= 3.498036 ETOT(band)= -1.773297 trlgG= -2.472847 logG= -0.689088 TDE= -4.590640 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102467 tlogG= -0.577428 logG= -0.679895 Density= 3.500241 ETOT(band)= -1.764487 trlgG= -2.457640 logG= -0.679895 TDE= -4.586396 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102196 tlogG= -0.578642 logG= -0.680838 Density= 3.499692 ETOT(band)= -1.765865 trlgG= -2.458866 logG= -0.680838 TDE= -4.586238 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101392 tlogG= -0.588135 logG= -0.689527 Density= 3.497751 ETOT(band)= -1.773977 trlgG= -2.473148 logG= -0.689527 TDE= -4.590274 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102560 tlogG= -0.577258 logG= -0.679818 Density= 3.500526 ETOT(band)= -1.764137 trlgG= -2.457281 logG= -0.679818 TDE= -4.586342 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Sum of eigenvalues= -1156.56223580939 eV TrLogG= -1610.75514302691 eV Ratio to renormalize= 1.000427423525 rho-rho_expected=-0.071776473180 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 105 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= 105 7) Finished k-point number 8 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834728017865750 0.831858325588407 0.835145198096492 0.831770972203078 0.835312145582316 0.831693128180306 0.834978848301088 0.831748158930063 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101273 tlogG= -0.589800 logG= -0.691073 Density= 3.497792 ETOT(band)= -1.775037 trlgG= -2.476217 logG= -0.691073 TDE= -4.591829 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102176 tlogG= -0.578165 logG= -0.680342 Density= 3.500024 ETOT(band)= -1.765243 trlgG= -2.458130 logG= -0.680342 TDE= -4.586265 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101309 tlogG= -0.591410 logG= -0.692720 Density= 3.497847 ETOT(band)= -1.776031 trlgG= -2.479340 logG= -0.692720 TDE= -4.593350 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101256 tlogG= -0.585882 logG= -0.687138 Density= 3.497968 ETOT(band)= -1.772372 trlgG= -2.468171 logG= -0.687138 TDE= -4.587861 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101716 tlogG= -0.582258 logG= -0.683975 Density= 3.498980 ETOT(band)= -1.768934 trlgG= -2.464328 logG= -0.683975 TDE= -4.587992 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101121 tlogG= -0.590411 logG= -0.691532 Density= 3.497478 ETOT(band)= -1.775772 trlgG= -2.476657 logG= -0.691532 TDE= -4.591558 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101191 tlogG= -0.586180 logG= -0.687370 Density= 3.497919 ETOT(band)= -1.772655 trlgG= -2.467129 logG= -0.687370 TDE= -4.586546 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101910 tlogG= -0.580966 logG= -0.682876 Density= 3.499486 ETOT(band)= -1.767627 trlgG= -2.462089 logG= -0.682876 TDE= -4.587257 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101352 tlogG= -0.585533 logG= -0.686885 Density= 3.498206 ETOT(band)= -1.771918 trlgG= -2.467851 logG= -0.686885 TDE= -4.587984 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102640 tlogG= -0.574705 logG= -0.677346 Density= 3.501083 ETOT(band)= -1.761938 trlgG= -2.453055 logG= -0.677346 TDE= -4.585035 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.100965 tlogG= -0.592780 logG= -0.693745 Density= 3.497154 ETOT(band)= -1.777682 trlgG= -2.480664 logG= -0.693745 TDE= -4.593092 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101165 tlogG= -0.588677 logG= -0.689842 Density= 3.497757 ETOT(band)= -1.774408 trlgG= -2.472848 logG= -0.689842 TDE= -4.589663 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101327 tlogG= -0.587524 logG= -0.688851 Density= 3.498219 ETOT(band)= -1.773163 trlgG= -2.470971 logG= -0.688851 TDE= -4.589148 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101241 tlogG= -0.587895 logG= -0.689136 Density= 3.498119 ETOT(band)= -1.773524 trlgG= -2.470733 logG= -0.689136 TDE= -4.588544 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101470 tlogG= -0.585438 logG= -0.686908 Density= 3.498711 ETOT(band)= -1.771337 trlgG= -2.466953 logG= -0.686908 TDE= -4.587468 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101181 tlogG= -0.590282 logG= -0.691462 Density= 3.497688 ETOT(band)= -1.775461 trlgG= -2.476323 logG= -0.691462 TDE= -4.591463 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102001 tlogG= -0.578836 logG= -0.680836 Density= 3.499639 ETOT(band)= -1.766072 trlgG= -2.458979 logG= -0.680836 TDE= -4.586310 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102088 tlogG= -0.578646 logG= -0.680733 Density= 3.499912 ETOT(band)= -1.765692 trlgG= -2.458586 logG= -0.680733 TDE= -4.586239 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101283 tlogG= -0.587371 logG= -0.688655 Density= 3.497891 ETOT(band)= -1.773373 trlgG= -2.471770 logG= -0.688655 TDE= -4.589880 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101080 tlogG= -0.588250 logG= -0.689331 Density= 3.497559 ETOT(band)= -1.774344 trlgG= -2.471381 logG= -0.689331 TDE= -4.588549 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101503 tlogG= -0.583230 logG= -0.684733 Density= 3.498560 ETOT(band)= -1.770054 trlgG= -2.464390 logG= -0.684733 TDE= -4.586959 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100982 tlogG= -0.590974 logG= -0.691956 Density= 3.497244 ETOT(band)= -1.776415 trlgG= -2.476998 logG= -0.691956 TDE= -4.591287 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101452 tlogG= -0.585312 logG= -0.686764 Density= 3.498553 ETOT(band)= -1.771425 trlgG= -2.467416 logG= -0.686764 TDE= -4.587948 logGD-logG0= -0.101546 tlogG= -0.584824 logG= -0.686370 Density= 3.498718 ETOT(band)= -1.770893 trlgG= -2.467578 logG= -0.686370 TDE= -4.588636 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101601 tlogG= -0.582764 logG= -0.684365 Density= 3.498738 ETOT(band)= -1.769533 trlgG= -2.464465 logG= -0.684365 TDE= -4.587544 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101332 tlogG= -0.585530 logG= -0.686862 Density= 3.498089 ETOT(band)= -1.771997 trlgG= -2.468411 logG= -0.686862 TDE= -4.588472 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101283 tlogG= -0.588139 logG= -0.689422 Density= 3.497972 ETOT(band)= -1.773803 trlgG= -2.472867 logG= -0.689422 TDE= -4.590274 logGD-logG0= -0.101050 tlogG= -0.590824 logG= -0.691875 Density= 3.497470 ETOT(band)= -1.776069 trlgG= -2.476731 logG= -0.691875 TDE= -4.591283 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101680 tlogG= -0.582843 logG= -0.684523 Density= 3.499156 ETOT(band)= -1.769213 trlgG= -2.463578 logG= -0.684523 TDE= -4.586835 logGD-logG0= -0.102408 tlogG= -0.575550 logG= -0.677958 Density= 3.500544 ETOT(band)= -1.763019 trlgG= -2.454349 logG= -0.677958 TDE= -4.585284 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101325 tlogG= -0.589692 logG= -0.691016 Density= 3.497986 ETOT(band)= -1.774764 trlgG= -2.475870 logG= -0.691016 TDE= -4.591695 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101420 tlogG= -0.587563 logG= -0.688983 Density= 3.498257 ETOT(band)= -1.773123 trlgG= -2.472566 logG= -0.688983 TDE= -4.590641 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101424 tlogG= -0.585683 logG= -0.687107 Density= 3.498715 ETOT(band)= -1.771519 trlgG= -2.466202 logG= -0.687107 TDE= -4.586521 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101761 tlogG= -0.581558 logG= -0.683319 Density= 3.499178 ETOT(band)= -1.768336 trlgG= -2.462595 logG= -0.683319 TDE= -4.587073 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101584 tlogG= -0.584490 logG= -0.686074 Density= 3.498666 ETOT(band)= -1.770715 trlgG= -2.467917 logG= -0.686074 TDE= -4.589230 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102359 tlogG= -0.577431 logG= -0.679791 Density= 3.500462 ETOT(band)= -1.764314 trlgG= -2.457359 logG= -0.679791 TDE= -4.586396 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101533 tlogG= -0.585146 logG= -0.686679 Density= 3.498763 ETOT(band)= -1.771069 trlgG= -2.467287 logG= -0.686679 TDE= -4.588072 logGD-logG0= -0.102879 tlogG= -0.573819 logG= -0.676698 Density= 3.501675 ETOT(band)= -1.760781 trlgG= -2.451933 logG= -0.676698 TDE= -4.585036 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101411 tlogG= -0.587104 logG= -0.688516 Density= 3.498369 ETOT(band)= -1.772715 trlgG= -2.470926 logG= -0.688516 TDE= -4.589559 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101121 tlogG= -0.592114 logG= -0.693235 Density= 3.497446 ETOT(band)= -1.776899 trlgG= -2.479948 logG= -0.693235 TDE= -4.593121 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102267 tlogG= -0.577986 logG= -0.680253 Density= 3.500303 ETOT(band)= -1.764878 trlgG= -2.457733 logG= -0.680253 TDE= -4.586180 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101775 tlogG= -0.582409 logG= -0.684184 Density= 3.499314 ETOT(band)= -1.768748 trlgG= -2.463622 logG= -0.684184 TDE= -4.587344 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102452 tlogG= -0.577261 logG= -0.679714 Density= 3.500747 ETOT(band)= -1.763964 trlgG= -2.457000 logG= -0.679714 TDE= -4.586343 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.102067 tlogG= -0.580317 logG= -0.682384 Density= 3.499852 ETOT(band)= -1.766827 trlgG= -2.461655 logG= -0.682384 TDE= -4.587610 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101670 tlogG= -0.584313 logG= -0.685983 Density= 3.498974 ETOT(band)= -1.770301 trlgG= -2.467442 logG= -0.685983 TDE= -4.589093 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101453 tlogG= -0.585026 logG= -0.686479 Density= 3.498393 ETOT(band)= -1.771351 trlgG= -2.468086 logG= -0.686479 TDE= -4.588775 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101883 tlogG= -0.581941 logG= -0.683824 Density= 3.499537 ETOT(band)= -1.768213 trlgG= -2.463507 logG= -0.683824 TDE= -4.587768 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101179 tlogG= -0.587839 logG= -0.689018 Density= 3.497701 ETOT(band)= -1.773906 trlgG= -2.471832 logG= -0.689018 TDE= -4.589426 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.44875143013 eV TrLogG= -1610.68716283646 eV Ratio to renormalize= 1.000364367231 rho-rho_expected=-0.061191398586 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 4) Finished k-point number 5 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= 105 10) Finished k-point number 11 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834726899155136 0.831857226482594 0.835144047122604 0.831769887875866 0.835311037688192 0.831692024697479 0.834977733158887 0.831747058413741 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100965 tlogG= -0.592779 logG= -0.693744 Density= 3.497152 ETOT(band)= -1.777681 trlgG= -2.480662 logG= -0.693744 TDE= -4.593090 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101050 tlogG= -0.590824 logG= -0.691874 Density= 3.497468 ETOT(band)= -1.776068 trlgG= -2.476729 logG= -0.691874 TDE= -4.591281 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101546 tlogG= -0.584824 logG= -0.686369 Density= 3.498717 ETOT(band)= -1.770892 trlgG= -2.467575 logG= -0.686369 TDE= -4.588634 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101910 tlogG= -0.580965 logG= -0.682875 Density= 3.499484 ETOT(band)= -1.767626 trlgG= -2.462086 logG= -0.682875 TDE= -4.587255 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101761 tlogG= -0.581558 logG= -0.683318 Density= 3.499176 ETOT(band)= -1.768334 trlgG= -2.462593 logG= -0.683318 TDE= -4.587070 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101332 tlogG= -0.585530 logG= -0.686861 Density= 3.498088 ETOT(band)= -1.771996 trlgG= -2.468408 logG= -0.686861 TDE= -4.588470 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101241 tlogG= -0.587895 logG= -0.689135 Density= 3.498117 ETOT(band)= -1.773523 trlgG= -2.470731 logG= -0.689135 TDE= -4.588542 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101326 tlogG= -0.587524 logG= -0.688850 Density= 3.498217 ETOT(band)= -1.773162 trlgG= -2.470969 logG= -0.688850 TDE= -4.589146 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101283 tlogG= -0.587371 logG= -0.688654 Density= 3.497889 ETOT(band)= -1.773372 trlgG= -2.471768 logG= -0.688654 TDE= -4.589878 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101774 tlogG= -0.582408 logG= -0.684183 Density= 3.499312 ETOT(band)= -1.768747 trlgG= -2.463619 logG= -0.684183 TDE= -4.587342 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102176 tlogG= -0.578165 logG= -0.680340 Density= 3.500022 ETOT(band)= -1.765242 trlgG= -2.458128 logG= -0.680340 TDE= -4.586263 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101256 tlogG= -0.585881 logG= -0.687137 Density= 3.497967 ETOT(band)= -1.772371 trlgG= -2.468169 logG= -0.687137 TDE= -4.587858 logGD-logG0= -0.101351 tlogG= -0.585532 logG= -0.686884 Density= 3.498205 ETOT(band)= -1.771917 trlgG= -2.467848 logG= -0.686884 TDE= -4.587982 logGD-logG0= -0.102408 tlogG= -0.575550 logG= -0.677957 Density= 3.500543 ETOT(band)= -1.763018 trlgG= -2.454347 logG= -0.677957 TDE= -4.585282 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101451 tlogG= -0.585312 logG= -0.686763 Density= 3.498551 ETOT(band)= -1.771424 trlgG= -2.467414 logG= -0.686763 TDE= -4.587946 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100982 tlogG= -0.590974 logG= -0.691955 Density= 3.497242 ETOT(band)= -1.776414 trlgG= -2.476996 logG= -0.691955 TDE= -4.591285 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101670 tlogG= -0.584313 logG= -0.685982 Density= 3.498972 ETOT(band)= -1.770300 trlgG= -2.467440 logG= -0.685982 TDE= -4.589090 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101452 tlogG= -0.585026 logG= -0.686478 Density= 3.498391 ETOT(band)= -1.771350 trlgG= -2.468084 logG= -0.686478 TDE= -4.588773 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101882 tlogG= -0.581941 logG= -0.683823 Density= 3.499535 ETOT(band)= -1.768212 trlgG= -2.463504 logG= -0.683823 TDE= -4.587765 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101121 tlogG= -0.592113 logG= -0.693234 Density= 3.497445 ETOT(band)= -1.776898 trlgG= -2.479946 logG= -0.693234 TDE= -4.593119 logGD-logG0= -0.102000 tlogG= -0.578835 logG= -0.680835 Density= 3.499637 ETOT(band)= -1.766071 trlgG= -2.458976 logG= -0.680835 TDE= -4.586307 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101190 tlogG= -0.586179 logG= -0.687369 Density= 3.497918 ETOT(band)= -1.772654 trlgG= -2.467127 logG= -0.687369 TDE= -4.586544 logGD-logG0= -0.102358 tlogG= -0.577431 logG= -0.679790 Density= 3.500460 ETOT(band)= -1.764313 trlgG= -2.457357 logG= -0.679790 TDE= -4.586394 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101272 tlogG= -0.589799 logG= -0.691072 Density= 3.497791 ETOT(band)= -1.775036 trlgG= -2.476215 logG= -0.691072 TDE= -4.591827 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101309 tlogG= -0.591410 logG= -0.692719 Density= 3.497846 ETOT(band)= -1.776030 trlgG= -2.479338 logG= -0.692719 TDE= -4.593348 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101716 tlogG= -0.582258 logG= -0.683974 Density= 3.498978 ETOT(band)= -1.768933 trlgG= -2.464325 logG= -0.683974 TDE= -4.587989 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101283 tlogG= -0.588138 logG= -0.689421 Density= 3.497970 ETOT(band)= -1.773802 trlgG= -2.472865 logG= -0.689421 TDE= -4.590272 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101080 tlogG= -0.588250 logG= -0.689330 Density= 3.497557 ETOT(band)= -1.774343 trlgG= -2.471379 logG= -0.689330 TDE= -4.588547 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101419 tlogG= -0.587563 logG= -0.688982 Density= 3.498255 ETOT(band)= -1.773122 trlgG= -2.472564 logG= -0.688982 TDE= -4.590638 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102452 tlogG= -0.577261 logG= -0.679713 Density= 3.500745 ETOT(band)= -1.763963 trlgG= -2.456998 logG= -0.679713 TDE= -4.586341 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101324 tlogG= -0.589691 logG= -0.691015 Density= 3.497984 ETOT(band)= -1.774763 trlgG= -2.475868 logG= -0.691015 TDE= -4.591692 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101502 tlogG= -0.583230 logG= -0.684732 Density= 3.498558 ETOT(band)= -1.770053 trlgG= -2.464388 logG= -0.684732 TDE= -4.586956 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102640 tlogG= -0.574705 logG= -0.677345 Density= 3.501081 ETOT(band)= -1.761937 trlgG= -2.453053 logG= -0.677345 TDE= -4.585033 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101584 tlogG= -0.584490 logG= -0.686073 Density= 3.498665 ETOT(band)= -1.770714 trlgG= -2.467915 logG= -0.686073 TDE= -4.589228 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101679 tlogG= -0.582842 logG= -0.684522 Density= 3.499154 ETOT(band)= -1.769212 trlgG= -2.463576 logG= -0.684522 TDE= -4.586833 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101164 tlogG= -0.588677 logG= -0.689841 Density= 3.497755 ETOT(band)= -1.774407 trlgG= -2.472845 logG= -0.689841 TDE= -4.589660 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101121 tlogG= -0.590411 logG= -0.691531 Density= 3.497476 ETOT(band)= -1.775771 trlgG= -2.476655 logG= -0.691531 TDE= -4.591556 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102087 tlogG= -0.578645 logG= -0.680732 Density= 3.499911 ETOT(band)= -1.765691 trlgG= -2.458583 logG= -0.680732 TDE= -4.586236 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102066 tlogG= -0.580317 logG= -0.682383 Density= 3.499850 ETOT(band)= -1.766826 trlgG= -2.461653 logG= -0.682383 TDE= -4.587608 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101600 tlogG= -0.582764 logG= -0.684364 Density= 3.498737 ETOT(band)= -1.769532 trlgG= -2.464463 logG= -0.684364 TDE= -4.587542 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102879 tlogG= -0.573819 logG= -0.676697 Density= 3.501673 ETOT(band)= -1.760780 trlgG= -2.451931 logG= -0.676697 TDE= -4.585034 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102266 tlogG= -0.577985 logG= -0.680252 Density= 3.500301 ETOT(band)= -1.764877 trlgG= -2.457731 logG= -0.680252 TDE= -4.586178 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101178 tlogG= -0.587839 logG= -0.689017 Density= 3.497699 ETOT(band)= -1.773905 trlgG= -2.471829 logG= -0.689017 TDE= -4.589424 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101533 tlogG= -0.585146 logG= -0.686678 Density= 3.498761 ETOT(band)= -1.771068 trlgG= -2.467284 logG= -0.686678 TDE= -4.588069 logGD-logG0= -0.101411 tlogG= -0.587104 logG= -0.688515 Density= 3.498368 ETOT(band)= -1.772713 trlgG= -2.470924 logG= -0.688515 TDE= -4.589556 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101180 tlogG= -0.590281 logG= -0.691461 Density= 3.497687 ETOT(band)= -1.775460 trlgG= -2.476321 logG= -0.691461 TDE= -4.591461 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101424 tlogG= -0.585682 logG= -0.687106 Density= 3.498713 ETOT(band)= -1.771518 trlgG= -2.466200 logG= -0.687106 TDE= -4.586519 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101469 tlogG= -0.585438 logG= -0.686907 Density= 3.498709 ETOT(band)= -1.771336 trlgG= -2.466950 logG= -0.686907 TDE= -4.587465 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.44805823919 eV TrLogG= -1610.68495261241 eV Ratio to renormalize= 1.000364799639 rho-rho_expected=-0.061263990344 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 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= 105 0) Finished k-point number 1 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834726938146618 0.831857278100641 0.835144089008497 0.831769938224931 0.835311076189391 0.831692076480887 0.834977772179595 0.831747109946287 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.102176 tlogG= -0.578165 logG= -0.680341 Density= 3.500022 ETOT(band)= -1.765242 trlgG= -2.458128 logG= -0.680341 TDE= -4.586263 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101419 tlogG= -0.587563 logG= -0.688983 Density= 3.498255 ETOT(band)= -1.773122 trlgG= -2.472564 logG= -0.688983 TDE= -4.590638 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102640 tlogG= -0.574705 logG= -0.677345 Density= 3.501081 ETOT(band)= -1.761937 trlgG= -2.453053 logG= -0.677345 TDE= -4.585033 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102087 tlogG= -0.578645 logG= -0.680733 Density= 3.499911 ETOT(band)= -1.765691 trlgG= -2.458583 logG= -0.680733 TDE= -4.586236 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102066 tlogG= -0.580317 logG= -0.682383 Density= 3.499850 ETOT(band)= -1.766826 trlgG= -2.461653 logG= -0.682383 TDE= -4.587608 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101910 tlogG= -0.580965 logG= -0.682875 Density= 3.499484 ETOT(band)= -1.767626 trlgG= -2.462087 logG= -0.682875 TDE= -4.587255 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102000 tlogG= -0.578835 logG= -0.680835 Density= 3.499637 ETOT(band)= -1.766071 trlgG= -2.458977 logG= -0.680835 TDE= -4.586307 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101309 tlogG= -0.591410 logG= -0.692719 Density= 3.497846 ETOT(band)= -1.776030 trlgG= -2.479338 logG= -0.692719 TDE= -4.593348 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101283 tlogG= -0.587371 logG= -0.688654 Density= 3.497890 ETOT(band)= -1.773372 trlgG= -2.471768 logG= -0.688654 TDE= -4.589878 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101351 tlogG= -0.585533 logG= -0.686884 Density= 3.498205 ETOT(band)= -1.771917 trlgG= -2.467848 logG= -0.686884 TDE= -4.587982 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101080 tlogG= -0.588250 logG= -0.689330 Density= 3.497557 ETOT(band)= -1.774343 trlgG= -2.471379 logG= -0.689330 TDE= -4.588547 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102408 tlogG= -0.575550 logG= -0.677958 Density= 3.500543 ETOT(band)= -1.763018 trlgG= -2.454347 logG= -0.677958 TDE= -4.585282 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101272 tlogG= -0.589800 logG= -0.691072 Density= 3.497791 ETOT(band)= -1.775036 trlgG= -2.476215 logG= -0.691072 TDE= -4.591827 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101241 tlogG= -0.587895 logG= -0.689135 Density= 3.498117 ETOT(band)= -1.773523 trlgG= -2.470731 logG= -0.689135 TDE= -4.588542 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100965 tlogG= -0.592779 logG= -0.693744 Density= 3.497152 ETOT(band)= -1.777681 trlgG= -2.480662 logG= -0.693744 TDE= -4.593090 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101502 tlogG= -0.583230 logG= -0.684732 Density= 3.498558 ETOT(band)= -1.770053 trlgG= -2.464388 logG= -0.684732 TDE= -4.586956 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101469 tlogG= -0.585438 logG= -0.686907 Density= 3.498709 ETOT(band)= -1.771336 trlgG= -2.466951 logG= -0.686907 TDE= -4.587465 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100982 tlogG= -0.590974 logG= -0.691955 Density= 3.497242 ETOT(band)= -1.776414 trlgG= -2.476996 logG= -0.691955 TDE= -4.591285 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101190 tlogG= -0.586179 logG= -0.687369 Density= 3.497918 ETOT(band)= -1.772654 trlgG= -2.467127 logG= -0.687369 TDE= -4.586544 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101761 tlogG= -0.581558 logG= -0.683318 Density= 3.499176 ETOT(band)= -1.768334 trlgG= -2.462593 logG= -0.683318 TDE= -4.587071 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101326 tlogG= -0.587524 logG= -0.688850 Density= 3.498217 ETOT(band)= -1.773162 trlgG= -2.470969 logG= -0.688850 TDE= -4.589146 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101050 tlogG= -0.590824 logG= -0.691874 Density= 3.497468 ETOT(band)= -1.776068 trlgG= -2.476729 logG= -0.691874 TDE= -4.591281 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.101584 tlogG= -0.584490 logG= -0.686073 Density= 3.498665 ETOT(band)= -1.770714 trlgG= -2.467915 logG= -0.686073 TDE= -4.589228 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101882 tlogG= -0.581941 logG= -0.683823 Density= 3.499535 ETOT(band)= -1.768212 trlgG= -2.463505 logG= -0.683823 TDE= -4.587765 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101716 tlogG= -0.582258 logG= -0.683974 Density= 3.498979 ETOT(band)= -1.768933 trlgG= -2.464326 logG= -0.683974 TDE= -4.587989 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101679 tlogG= -0.582843 logG= -0.684522 Density= 3.499154 ETOT(band)= -1.769212 trlgG= -2.463576 logG= -0.684522 TDE= -4.586833 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101121 tlogG= -0.592114 logG= -0.693234 Density= 3.497445 ETOT(band)= -1.776898 trlgG= -2.479946 logG= -0.693234 TDE= -4.593119 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101164 tlogG= -0.588677 logG= -0.689841 Density= 3.497755 ETOT(band)= -1.774407 trlgG= -2.472845 logG= -0.689841 TDE= -4.589660 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101324 tlogG= -0.589692 logG= -0.691015 Density= 3.497984 ETOT(band)= -1.774763 trlgG= -2.475868 logG= -0.691015 TDE= -4.591693 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101178 tlogG= -0.587839 logG= -0.689017 Density= 3.497699 ETOT(band)= -1.773905 trlgG= -2.471830 logG= -0.689017 TDE= -4.589424 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101332 tlogG= -0.585530 logG= -0.686861 Density= 3.498088 ETOT(band)= -1.771996 trlgG= -2.468409 logG= -0.686861 TDE= -4.588470 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101451 tlogG= -0.585312 logG= -0.686763 Density= 3.498551 ETOT(band)= -1.771424 trlgG= -2.467414 logG= -0.686763 TDE= -4.587946 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101546 tlogG= -0.584824 logG= -0.686369 Density= 3.498717 ETOT(band)= -1.770892 trlgG= -2.467576 logG= -0.686369 TDE= -4.588634 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101600 tlogG= -0.582764 logG= -0.684364 Density= 3.498737 ETOT(band)= -1.769532 trlgG= -2.464463 logG= -0.684364 TDE= -4.587542 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101452 tlogG= -0.585026 logG= -0.686478 Density= 3.498391 ETOT(band)= -1.771350 trlgG= -2.468084 logG= -0.686478 TDE= -4.588773 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101180 tlogG= -0.590281 logG= -0.691461 Density= 3.497687 ETOT(band)= -1.775460 trlgG= -2.476321 logG= -0.691461 TDE= -4.591461 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102266 tlogG= -0.577986 logG= -0.680252 Density= 3.500302 ETOT(band)= -1.764877 trlgG= -2.457731 logG= -0.680252 TDE= -4.586178 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101670 tlogG= -0.584313 logG= -0.685982 Density= 3.498972 ETOT(band)= -1.770300 trlgG= -2.467440 logG= -0.685982 TDE= -4.589090 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101533 tlogG= -0.585146 logG= -0.686678 Density= 3.498761 ETOT(band)= -1.771068 trlgG= -2.467284 logG= -0.686678 TDE= -4.588069 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101256 tlogG= -0.585881 logG= -0.687137 Density= 3.497967 ETOT(band)= -1.772371 trlgG= -2.468169 logG= -0.687137 TDE= -4.587858 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101424 tlogG= -0.585683 logG= -0.687106 Density= 3.498713 ETOT(band)= -1.771518 trlgG= -2.466200 logG= -0.687106 TDE= -4.586519 logGD-logG0= -0.102452 tlogG= -0.577261 logG= -0.679713 Density= 3.500745 ETOT(band)= -1.763963 trlgG= -2.456998 logG= -0.679713 TDE= -4.586341 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102358 tlogG= -0.577431 logG= -0.679790 Density= 3.500460 ETOT(band)= -1.764313 trlgG= -2.457357 logG= -0.679790 TDE= -4.586394 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102879 tlogG= -0.573819 logG= -0.676698 Density= 3.501673 ETOT(band)= -1.760780 trlgG= -2.451931 logG= -0.676698 TDE= -4.585034 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101774 tlogG= -0.582408 logG= -0.684183 Density= 3.499312 ETOT(band)= -1.768747 trlgG= -2.463619 logG= -0.684183 TDE= -4.587342 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101283 tlogG= -0.588138 logG= -0.689421 Density= 3.497970 ETOT(band)= -1.773802 trlgG= -2.472865 logG= -0.689421 TDE= -4.590272 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101121 tlogG= -0.590411 logG= -0.691532 Density= 3.497476 ETOT(band)= -1.775771 trlgG= -2.476655 logG= -0.691532 TDE= -4.591556 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101411 tlogG= -0.587104 logG= -0.688515 Density= 3.498368 ETOT(band)= -1.772713 trlgG= -2.470924 logG= -0.688515 TDE= -4.589557 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.44806304106 eV TrLogG= -1610.68506085094 eV Ratio to renormalize= 1.000364778673 rho-rho_expected=-0.061260470468 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 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= 105 18) Finished k-point number 19 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 16) Finished k-point number 17 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= 105 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834726330332086 0.831856863596198 0.835143504479733 0.831769513405626 0.835310472741768 0.831691659740904 0.834977168533051 0.831746692847416 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101164 tlogG= -0.588677 logG= -0.689841 Density= 3.497755 ETOT(band)= -1.774406 trlgG= -2.472845 logG= -0.689841 TDE= -4.589659 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101545 tlogG= -0.584824 logG= -0.686370 Density= 3.498716 ETOT(band)= -1.770891 trlgG= -2.467575 logG= -0.686370 TDE= -4.588632 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101451 tlogG= -0.585312 logG= -0.686763 Density= 3.498551 ETOT(band)= -1.771423 trlgG= -2.467413 logG= -0.686763 TDE= -4.587944 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101121 tlogG= -0.592114 logG= -0.693235 Density= 3.497444 ETOT(band)= -1.776897 trlgG= -2.479945 logG= -0.693235 TDE= -4.593117 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101760 tlogG= -0.581558 logG= -0.683319 Density= 3.499176 ETOT(band)= -1.768333 trlgG= -2.462592 logG= -0.683319 TDE= -4.587069 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102176 tlogG= -0.578165 logG= -0.680341 Density= 3.500022 ETOT(band)= -1.765241 trlgG= -2.458127 logG= -0.680341 TDE= -4.586261 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101309 tlogG= -0.591411 logG= -0.692719 Density= 3.497845 ETOT(band)= -1.776029 trlgG= -2.479338 logG= -0.692719 TDE= -4.593347 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101180 tlogG= -0.590282 logG= -0.691462 Density= 3.497686 ETOT(band)= -1.775459 trlgG= -2.476320 logG= -0.691462 TDE= -4.591459 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101502 tlogG= -0.583230 logG= -0.684732 Density= 3.498558 ETOT(band)= -1.770052 trlgG= -2.464387 logG= -0.684732 TDE= -4.586955 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101178 tlogG= -0.587839 logG= -0.689017 Density= 3.497699 ETOT(band)= -1.773904 trlgG= -2.471829 logG= -0.689017 TDE= -4.589422 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102879 tlogG= -0.573819 logG= -0.676698 Density= 3.501673 ETOT(band)= -1.760779 trlgG= -2.451931 logG= -0.676698 TDE= -4.585032 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101910 tlogG= -0.580966 logG= -0.682875 Density= 3.499484 ETOT(band)= -1.767625 trlgG= -2.462086 logG= -0.682875 TDE= -4.587253 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101882 tlogG= -0.581941 logG= -0.683824 Density= 3.499535 ETOT(band)= -1.768211 trlgG= -2.463504 logG= -0.683824 TDE= -4.587764 logGD-logG0= -0.101351 tlogG= -0.585533 logG= -0.686884 Density= 3.498204 ETOT(band)= -1.771916 trlgG= -2.467848 logG= -0.686884 TDE= -4.587980 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102066 tlogG= -0.580317 logG= -0.682383 Density= 3.499850 ETOT(band)= -1.766825 trlgG= -2.461653 logG= -0.682383 TDE= -4.587606 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102640 tlogG= -0.574705 logG= -0.677345 Density= 3.501081 ETOT(band)= -1.761936 trlgG= -2.453052 logG= -0.677345 TDE= -4.585032 logGD-logG0= -0.101080 tlogG= -0.588250 logG= -0.689330 Density= 3.497557 ETOT(band)= -1.774342 trlgG= -2.471378 logG= -0.689330 TDE= -4.588545 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100965 tlogG= -0.592780 logG= -0.693744 Density= 3.497152 ETOT(band)= -1.777680 trlgG= -2.480661 logG= -0.693744 TDE= -4.593089 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101583 tlogG= -0.584490 logG= -0.686074 Density= 3.498664 ETOT(band)= -1.770713 trlgG= -2.467914 logG= -0.686074 TDE= -4.589226 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101190 tlogG= -0.586180 logG= -0.687370 Density= 3.497917 ETOT(band)= -1.772653 trlgG= -2.467126 logG= -0.687370 TDE= -4.586542 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101050 tlogG= -0.590824 logG= -0.691874 Density= 3.497468 ETOT(band)= -1.776067 trlgG= -2.476728 logG= -0.691874 TDE= -4.591279 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.102000 tlogG= -0.578836 logG= -0.680836 Density= 3.499637 ETOT(band)= -1.766070 trlgG= -2.458976 logG= -0.680836 TDE= -4.586306 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102358 tlogG= -0.577432 logG= -0.679790 Density= 3.500460 ETOT(band)= -1.764312 trlgG= -2.457357 logG= -0.679790 TDE= -4.586393 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101121 tlogG= -0.590411 logG= -0.691532 Density= 3.497476 ETOT(band)= -1.775770 trlgG= -2.476654 logG= -0.691532 TDE= -4.591554 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101326 tlogG= -0.587525 logG= -0.688850 Density= 3.498217 ETOT(band)= -1.773161 trlgG= -2.470969 logG= -0.688850 TDE= -4.589144 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102452 tlogG= -0.577261 logG= -0.679713 Density= 3.500745 ETOT(band)= -1.763962 trlgG= -2.456997 logG= -0.679713 TDE= -4.586339 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101282 tlogG= -0.587372 logG= -0.688654 Density= 3.497889 ETOT(band)= -1.773371 trlgG= -2.471767 logG= -0.688654 TDE= -4.589876 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101600 tlogG= -0.582764 logG= -0.684364 Density= 3.498736 ETOT(band)= -1.769531 trlgG= -2.464462 logG= -0.684364 TDE= -4.587541 logGD-logG0= -0.101324 tlogG= -0.589692 logG= -0.691016 Density= 3.497984 ETOT(band)= -1.774762 trlgG= -2.475868 logG= -0.691016 TDE= -4.591691 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101469 tlogG= -0.585438 logG= -0.686907 Density= 3.498709 ETOT(band)= -1.771335 trlgG= -2.466950 logG= -0.686907 TDE= -4.587464 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100982 tlogG= -0.590974 logG= -0.691956 Density= 3.497242 ETOT(band)= -1.776413 trlgG= -2.476995 logG= -0.691956 TDE= -4.591283 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101272 tlogG= -0.589800 logG= -0.691072 Density= 3.497790 ETOT(band)= -1.775035 trlgG= -2.476214 logG= -0.691072 TDE= -4.591826 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101255 tlogG= -0.585882 logG= -0.687137 Density= 3.497966 ETOT(band)= -1.772370 trlgG= -2.468168 logG= -0.687137 TDE= -4.587857 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101240 tlogG= -0.587895 logG= -0.689136 Density= 3.498117 ETOT(band)= -1.773522 trlgG= -2.470730 logG= -0.689136 TDE= -4.588540 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101411 tlogG= -0.587104 logG= -0.688515 Density= 3.498367 ETOT(band)= -1.772712 trlgG= -2.470923 logG= -0.688515 TDE= -4.589555 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101774 tlogG= -0.582409 logG= -0.684183 Density= 3.499312 ETOT(band)= -1.768746 trlgG= -2.463619 logG= -0.684183 TDE= -4.587341 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101423 tlogG= -0.585683 logG= -0.687106 Density= 3.498713 ETOT(band)= -1.771517 trlgG= -2.466199 logG= -0.687106 TDE= -4.586517 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101332 tlogG= -0.585530 logG= -0.686862 Density= 3.498087 ETOT(band)= -1.771995 trlgG= -2.468408 logG= -0.686862 TDE= -4.588468 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102087 tlogG= -0.578646 logG= -0.680733 Density= 3.499910 ETOT(band)= -1.765690 trlgG= -2.458582 logG= -0.680733 TDE= -4.586235 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101419 tlogG= -0.587564 logG= -0.688983 Density= 3.498255 ETOT(band)= -1.773121 trlgG= -2.472563 logG= -0.688983 TDE= -4.590637 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101532 tlogG= -0.585146 logG= -0.686678 Density= 3.498761 ETOT(band)= -1.771067 trlgG= -2.467284 logG= -0.686678 TDE= -4.588068 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101716 tlogG= -0.582258 logG= -0.683974 Density= 3.498978 ETOT(band)= -1.768932 trlgG= -2.464325 logG= -0.683974 TDE= -4.587988 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102407 tlogG= -0.575550 logG= -0.677958 Density= 3.500542 ETOT(band)= -1.763017 trlgG= -2.454346 logG= -0.677958 TDE= -4.585280 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102266 tlogG= -0.577986 logG= -0.680252 Density= 3.500301 ETOT(band)= -1.764876 trlgG= -2.457730 logG= -0.680252 TDE= -4.586177 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101669 tlogG= -0.584313 logG= -0.685983 Density= 3.498972 ETOT(band)= -1.770299 trlgG= -2.467439 logG= -0.685983 TDE= -4.589089 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101452 tlogG= -0.585027 logG= -0.686478 Density= 3.498391 ETOT(band)= -1.771349 trlgG= -2.468083 logG= -0.686478 TDE= -4.588771 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101679 tlogG= -0.582843 logG= -0.684522 Density= 3.499154 ETOT(band)= -1.769211 trlgG= -2.463575 logG= -0.684522 TDE= -4.586831 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101283 tlogG= -0.588139 logG= -0.689421 Density= 3.497970 ETOT(band)= -1.773801 trlgG= -2.472864 logG= -0.689421 TDE= -4.590271 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.44742302904 eV TrLogG= -1610.68424092929 eV Ratio to renormalize= 1.000364936260 rho-rho_expected=-0.061286925880 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 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= 105 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834725551371022 0.831856211512217 0.835142735877040 0.831768856464906 0.835309700630451 0.831691004777906 0.834976393640784 0.831746038983825 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100964 tlogG= -0.592780 logG= -0.693744 Density= 3.497151 ETOT(band)= -1.777679 trlgG= -2.480660 logG= -0.693744 TDE= -4.593087 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101451 tlogG= -0.585312 logG= -0.686763 Density= 3.498550 ETOT(band)= -1.771422 trlgG= -2.467412 logG= -0.686763 TDE= -4.587942 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101331 tlogG= -0.585530 logG= -0.686861 Density= 3.498086 ETOT(band)= -1.771994 trlgG= -2.468406 logG= -0.686861 TDE= -4.588467 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102175 tlogG= -0.578165 logG= -0.680340 Density= 3.500021 ETOT(band)= -1.765240 trlgG= -2.458126 logG= -0.680340 TDE= -4.586260 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101410 tlogG= -0.587104 logG= -0.688515 Density= 3.498366 ETOT(band)= -1.772712 trlgG= -2.470921 logG= -0.688515 TDE= -4.589553 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101120 tlogG= -0.590411 logG= -0.691531 Density= 3.497475 ETOT(band)= -1.775769 trlgG= -2.476653 logG= -0.691531 TDE= -4.591553 logGD-logG0= -0.101323 tlogG= -0.589692 logG= -0.691015 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Density= 3.497983 ETOT(band)= -1.774761 trlgG= -2.475866 logG= -0.691015 TDE= -4.591690 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101351 tlogG= -0.585533 logG= -0.686884 Density= 3.498204 ETOT(band)= -1.771915 trlgG= -2.467846 logG= -0.686884 TDE= -4.587978 logGD-logG0= -0.101326 tlogG= -0.587525 logG= -0.688850 Density= 3.498216 ETOT(band)= -1.773160 trlgG= -2.470967 logG= -0.688850 TDE= -4.589143 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101189 tlogG= -0.586180 logG= -0.687369 Density= 3.497917 ETOT(band)= -1.772652 trlgG= -2.467124 logG= -0.687369 TDE= -4.586541 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101272 tlogG= -0.589800 logG= -0.691072 Density= 3.497789 ETOT(band)= -1.775034 trlgG= -2.476213 logG= -0.691072 TDE= -4.591824 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102639 tlogG= -0.574705 logG= -0.677345 Density= 3.501080 ETOT(band)= -1.761935 trlgG= -2.453051 logG= -0.677345 TDE= -4.585030 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101909 tlogG= -0.580966 logG= -0.682875 Density= 3.499483 ETOT(band)= -1.767624 trlgG= -2.462084 logG= -0.682875 TDE= -4.587252 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101163 tlogG= -0.588677 logG= -0.689841 Density= 3.497754 ETOT(band)= -1.774405 trlgG= -2.472843 logG= -0.689841 TDE= -4.589657 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101308 tlogG= -0.591411 logG= -0.692719 Density= 3.497844 ETOT(band)= -1.776028 trlgG= -2.479337 logG= -0.692719 TDE= -4.593345 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101999 tlogG= -0.578836 logG= -0.680835 Density= 3.499636 ETOT(band)= -1.766069 trlgG= -2.458974 logG= -0.680835 TDE= -4.586304 logGD-logG0= -0.101240 tlogG= -0.587895 logG= -0.689135 Density= 3.498116 ETOT(band)= -1.773521 trlgG= -2.470729 logG= -0.689135 TDE= -4.588538 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101545 tlogG= -0.584824 logG= -0.686369 Density= 3.498716 ETOT(band)= -1.770890 trlgG= -2.467573 logG= -0.686369 TDE= -4.588630 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101760 tlogG= -0.581558 logG= -0.683318 Density= 3.499175 ETOT(band)= -1.768333 trlgG= -2.462590 logG= -0.683318 TDE= -4.587067 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101882 tlogG= -0.581941 logG= -0.683823 Density= 3.499534 ETOT(band)= -1.768210 trlgG= -2.463502 logG= -0.683823 TDE= -4.587762 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101282 tlogG= -0.587372 logG= -0.688654 Density= 3.497888 ETOT(band)= -1.773370 trlgG= -2.471765 logG= -0.688654 TDE= -4.589874 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101679 tlogG= -0.582843 logG= -0.684522 Density= 3.499153 ETOT(band)= -1.769210 trlgG= -2.463574 logG= -0.684522 TDE= -4.586830 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102407 tlogG= -0.575550 logG= -0.677957 Density= 3.500541 ETOT(band)= -1.763016 trlgG= -2.454344 logG= -0.677957 TDE= -4.585278 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101120 tlogG= -0.592114 logG= -0.693234 Density= 3.497443 ETOT(band)= -1.776896 trlgG= -2.479944 logG= -0.693234 TDE= -4.593116 logGD-logG0= -0.101502 tlogG= -0.583230 logG= -0.684732 Density= 3.498557 ETOT(band)= -1.770051 trlgG= -2.464386 logG= -0.684732 TDE= -4.586953 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102451 tlogG= -0.577261 logG= -0.679713 Density= 3.500744 ETOT(band)= -1.763961 trlgG= -2.456996 logG= -0.679713 TDE= -4.586337 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.102087 tlogG= -0.578646 logG= -0.680732 Density= 3.499909 ETOT(band)= -1.765689 trlgG= -2.458581 logG= -0.680732 TDE= -4.586233 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101419 tlogG= -0.587564 logG= -0.688982 Density= 3.498254 ETOT(band)= -1.773120 trlgG= -2.472562 logG= -0.688982 TDE= -4.590635 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101178 tlogG= -0.587839 logG= -0.689017 Density= 3.497698 ETOT(band)= -1.773903 trlgG= -2.471827 logG= -0.689017 TDE= -4.589420 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101079 tlogG= -0.588250 logG= -0.689330 Density= 3.497556 ETOT(band)= -1.774341 trlgG= -2.471377 logG= -0.689330 TDE= -4.588543 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101468 tlogG= -0.585438 logG= -0.686907 Density= 3.498708 ETOT(band)= -1.771334 trlgG= -2.466948 logG= -0.686907 TDE= -4.587462 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101583 tlogG= -0.584490 logG= -0.686073 Density= 3.498663 ETOT(band)= -1.770712 trlgG= -2.467913 logG= -0.686073 TDE= -4.589225 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102878 tlogG= -0.573819 logG= -0.676697 Density= 3.501672 ETOT(band)= -1.760778 trlgG= -2.451929 logG= -0.676697 TDE= -4.585030 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.102266 tlogG= -0.577986 logG= -0.680252 Density= 3.500300 ETOT(band)= -1.764875 trlgG= -2.457729 logG= -0.680252 TDE= -4.586175 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101532 tlogG= -0.585146 logG= -0.686678 Density= 3.498760 ETOT(band)= -1.771066 trlgG= -2.467282 logG= -0.686678 TDE= -4.588066 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101049 tlogG= -0.590824 logG= -0.691874 Density= 3.497467 ETOT(band)= -1.776066 trlgG= -2.476727 logG= -0.691874 TDE= -4.591277 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101282 tlogG= -0.588139 logG= -0.689421 Density= 3.497969 ETOT(band)= -1.773800 trlgG= -2.472863 logG= -0.689421 TDE= -4.590269 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101179 tlogG= -0.590282 logG= -0.691461 Density= 3.497685 ETOT(band)= -1.775458 trlgG= -2.476319 logG= -0.691461 TDE= -4.591458 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101715 tlogG= -0.582258 logG= -0.683974 Density= 3.498977 ETOT(band)= -1.768931 trlgG= -2.464323 logG= -0.683974 TDE= -4.587986 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101600 tlogG= -0.582764 logG= -0.684364 Density= 3.498735 ETOT(band)= -1.769530 trlgG= -2.464460 logG= -0.684364 TDE= -4.587539 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101255 tlogG= -0.585882 logG= -0.687137 Density= 3.497965 ETOT(band)= -1.772369 trlgG= -2.468167 logG= -0.687137 TDE= -4.587855 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.101774 tlogG= -0.582409 logG= -0.684183 Density= 3.499311 ETOT(band)= -1.768745 trlgG= -2.463617 logG= -0.684183 TDE= -4.587339 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101669 tlogG= -0.584313 logG= -0.685982 Density= 3.498971 ETOT(band)= -1.770299 trlgG= -2.467438 logG= -0.685982 TDE= -4.589087 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.100981 tlogG= -0.590974 logG= -0.691955 Density= 3.497241 ETOT(band)= -1.776412 trlgG= -2.476994 logG= -0.691955 TDE= -4.591282 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102358 tlogG= -0.577432 logG= -0.679790 Density= 3.500459 ETOT(band)= -1.764311 trlgG= -2.457355 logG= -0.679790 TDE= -4.586391 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102065 tlogG= -0.580317 logG= -0.682383 Density= 3.499849 ETOT(band)= -1.766824 trlgG= -2.461651 logG= -0.682383 TDE= -4.587605 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101423 tlogG= -0.585683 logG= -0.687106 Density= 3.498712 ETOT(band)= -1.771516 trlgG= -2.466198 logG= -0.687106 TDE= -4.586515 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101451 tlogG= -0.585027 logG= -0.686478 Density= 3.498390 ETOT(band)= -1.771348 trlgG= -2.468082 logG= -0.686478 TDE= -4.588769 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Sum of eigenvalues= -1156.44679005599 eV TrLogG= -1610.68285484434 eV Ratio to renormalize= 1.000365194765 rho-rho_expected=-0.061330322942 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834726370900264 0.831857100150622 0.835143581850785 0.831769733582417 0.835310511693837 0.831691896797731 0.834977211422732 0.831746927964981 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101910 tlogG= -0.580966 logG= -0.682876 Density= 3.499484 ETOT(band)= -1.767625 trlgG= -2.462086 logG= -0.682876 TDE= -4.587253 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101309 tlogG= -0.591411 logG= -0.692720 Density= 3.497845 ETOT(band)= -1.776028 trlgG= -2.479338 logG= -0.692720 TDE= -4.593346 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102358 tlogG= -0.577432 logG= -0.679790 Density= 3.500460 ETOT(band)= -1.764311 trlgG= -2.457357 logG= -0.679790 TDE= -4.586393 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101272 tlogG= -0.589801 logG= -0.691073 Density= 3.497790 ETOT(band)= -1.775035 trlgG= -2.476214 logG= -0.691073 TDE= -4.591826 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102000 tlogG= -0.578836 logG= -0.680836 Density= 3.499637 ETOT(band)= -1.766070 trlgG= -2.458976 logG= -0.680836 TDE= -4.586306 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101164 tlogG= -0.588678 logG= -0.689842 Density= 3.497755 ETOT(band)= -1.774405 trlgG= -2.472845 logG= -0.689842 TDE= -4.589659 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101502 tlogG= -0.583231 logG= -0.684733 Density= 3.498558 ETOT(band)= -1.770052 trlgG= -2.464387 logG= -0.684733 TDE= -4.586955 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101241 tlogG= -0.587896 logG= -0.689136 Density= 3.498117 ETOT(band)= -1.773521 trlgG= -2.470730 logG= -0.689136 TDE= -4.588540 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101546 tlogG= -0.584825 logG= -0.686370 Density= 3.498717 ETOT(band)= -1.770891 trlgG= -2.467575 logG= -0.686370 TDE= -4.588632 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101760 tlogG= -0.581559 logG= -0.683319 Density= 3.499176 ETOT(band)= -1.768333 trlgG= -2.462592 logG= -0.683319 TDE= -4.587069 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101326 tlogG= -0.587525 logG= -0.688851 Density= 3.498217 ETOT(band)= -1.773160 trlgG= -2.470969 logG= -0.688851 TDE= -4.589144 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101190 tlogG= -0.586180 logG= -0.687370 Density= 3.497918 ETOT(band)= -1.772652 trlgG= -2.467126 logG= -0.687370 TDE= -4.586542 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101332 tlogG= -0.585531 logG= -0.686862 Density= 3.498088 ETOT(band)= -1.771995 trlgG= -2.468408 logG= -0.686862 TDE= -4.588468 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101469 tlogG= -0.585439 logG= -0.686908 Density= 3.498709 ETOT(band)= -1.771334 trlgG= -2.466950 logG= -0.686908 TDE= -4.587463 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100982 tlogG= -0.590975 logG= -0.691956 Density= 3.497242 ETOT(band)= -1.776412 trlgG= -2.476995 logG= -0.691956 TDE= -4.591283 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100965 tlogG= -0.592780 logG= -0.693745 Density= 3.497152 ETOT(band)= -1.777679 trlgG= -2.480661 logG= -0.693745 TDE= -4.593088 logGD-logG0= -0.101050 tlogG= -0.590825 logG= -0.691875 Density= 3.497468 ETOT(band)= -1.776066 trlgG= -2.476728 logG= -0.691875 TDE= -4.591279 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101351 tlogG= -0.585533 logG= -0.686885 Density= 3.498205 ETOT(band)= -1.771916 trlgG= -2.467848 logG= -0.686885 TDE= -4.587980 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101532 tlogG= -0.585147 logG= -0.686679 Density= 3.498761 ETOT(band)= -1.771066 trlgG= -2.467284 logG= -0.686679 TDE= -4.588068 logGD-logG0= -0.101451 tlogG= -0.585313 logG= -0.686764 Density= 3.498551 ETOT(band)= -1.771423 trlgG= -2.467413 logG= -0.686764 TDE= -4.587944 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101424 tlogG= -0.585683 logG= -0.687107 Density= 3.498713 ETOT(band)= -1.771516 trlgG= -2.466199 logG= -0.687107 TDE= -4.586517 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101419 tlogG= -0.587564 logG= -0.688983 Density= 3.498255 ETOT(band)= -1.773120 trlgG= -2.472563 logG= -0.688983 TDE= -4.590637 logGD-logG0= -0.101411 tlogG= -0.587105 logG= -0.688516 Density= 3.498368 ETOT(band)= -1.772712 trlgG= -2.470923 logG= -0.688516 TDE= -4.589555 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101121 tlogG= -0.592114 logG= -0.693235 Density= 3.497445 ETOT(band)= -1.776896 trlgG= -2.479945 logG= -0.693235 TDE= -4.593117 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102176 tlogG= -0.578166 logG= -0.680341 Density= 3.500022 ETOT(band)= -1.765240 trlgG= -2.458128 logG= -0.680341 TDE= -4.586261 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102879 tlogG= -0.573820 logG= -0.676698 Density= 3.501673 ETOT(band)= -1.760778 trlgG= -2.451931 logG= -0.676698 TDE= -4.585032 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101600 tlogG= -0.582765 logG= -0.684365 Density= 3.498736 ETOT(band)= -1.769530 trlgG= -2.464462 logG= -0.684365 TDE= -4.587540 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101178 tlogG= -0.587840 logG= -0.689018 Density= 3.497699 ETOT(band)= -1.773903 trlgG= -2.471829 logG= -0.689018 TDE= -4.589422 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101670 tlogG= -0.584314 logG= -0.685983 Density= 3.498972 ETOT(band)= -1.770299 trlgG= -2.467439 logG= -0.685983 TDE= -4.589089 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101283 tlogG= -0.588139 logG= -0.689422 Density= 3.497970 ETOT(band)= -1.773800 trlgG= -2.472864 logG= -0.689422 TDE= -4.590270 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101774 tlogG= -0.582409 logG= -0.684183 Density= 3.499312 ETOT(band)= -1.768745 trlgG= -2.463619 logG= -0.684183 TDE= -4.587340 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102408 tlogG= -0.575551 logG= -0.677958 Density= 3.500543 ETOT(band)= -1.763017 trlgG= -2.454346 logG= -0.677958 TDE= -4.585280 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101716 tlogG= -0.582259 logG= -0.683975 Density= 3.498978 ETOT(band)= -1.768932 trlgG= -2.464325 logG= -0.683975 TDE= -4.587988 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102087 tlogG= -0.578646 logG= -0.680733 Density= 3.499910 ETOT(band)= -1.765690 trlgG= -2.458583 logG= -0.680733 TDE= -4.586235 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101324 tlogG= -0.589692 logG= -0.691016 Density= 3.497984 ETOT(band)= -1.774762 trlgG= -2.475868 logG= -0.691016 TDE= -4.591691 logGD-logG0= -0.101080 tlogG= -0.588251 logG= -0.689330 Density= 3.497557 ETOT(band)= -1.774341 trlgG= -2.471378 logG= -0.689330 TDE= -4.588545 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101180 tlogG= -0.590282 logG= -0.691462 Density= 3.497687 ETOT(band)= -1.775458 trlgG= -2.476320 logG= -0.691462 TDE= -4.591459 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102266 tlogG= -0.577986 logG= -0.680253 Density= 3.500301 ETOT(band)= -1.764875 trlgG= -2.457730 logG= -0.680253 TDE= -4.586176 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102066 tlogG= -0.580318 logG= -0.682384 Density= 3.499850 ETOT(band)= -1.766824 trlgG= -2.461653 logG= -0.682384 TDE= -4.587606 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101283 tlogG= -0.587372 logG= -0.688655 Density= 3.497889 ETOT(band)= -1.773371 trlgG= -2.471767 logG= -0.688655 TDE= -4.589876 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101584 tlogG= -0.584491 logG= -0.686074 Density= 3.498665 ETOT(band)= -1.770712 trlgG= -2.467915 logG= -0.686074 TDE= -4.589226 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101882 tlogG= -0.581942 logG= -0.683824 Density= 3.499535 ETOT(band)= -1.768210 trlgG= -2.463504 logG= -0.683824 TDE= -4.587764 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101256 tlogG= -0.585882 logG= -0.687138 Density= 3.497967 ETOT(band)= -1.772370 trlgG= -2.468169 logG= -0.687138 TDE= -4.587857 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101121 tlogG= -0.590412 logG= -0.691532 Density= 3.497476 ETOT(band)= -1.775769 trlgG= -2.476654 logG= -0.691532 TDE= -4.591554 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101679 tlogG= -0.582843 logG= -0.684523 Density= 3.499154 ETOT(band)= -1.769211 trlgG= -2.463575 logG= -0.684523 TDE= -4.586831 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101452 tlogG= -0.585027 logG= -0.686479 Density= 3.498391 ETOT(band)= -1.771348 trlgG= -2.468084 logG= -0.686479 TDE= -4.588771 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102452 tlogG= -0.577262 logG= -0.679714 Density= 3.500745 ETOT(band)= -1.763961 trlgG= -2.456997 logG= -0.679714 TDE= -4.586339 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.102640 tlogG= -0.574706 logG= -0.677345 Density= 3.501081 ETOT(band)= -1.761935 trlgG= -2.453052 logG= -0.677345 TDE= -4.585031 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1156.44712909780 eV TrLogG= -1610.68450064743 eV Ratio to renormalize= 1.000364845216 rho-rho_expected=-0.061271641620 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 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 17) Finished k-point number 18 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 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= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834726404607927 0.831857187200080 0.835143628165848 0.831769814926023 0.835310544742654 0.831691984076516 0.834977245692120 0.831747014662428 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101050 tlogG= -0.590825 logG= -0.691875 Density= 3.497468 ETOT(band)= -1.776066 trlgG= -2.476728 logG= -0.691875 TDE= -4.591279 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101332 tlogG= -0.585531 logG= -0.686862 Density= 3.498088 ETOT(band)= -1.771994 trlgG= -2.468408 logG= -0.686862 TDE= -4.588468 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101774 tlogG= -0.582409 logG= -0.684184 Density= 3.499312 ETOT(band)= -1.768745 trlgG= -2.463619 logG= -0.684184 TDE= -4.587340 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100965 tlogG= -0.592780 logG= -0.693745 Density= 3.497152 ETOT(band)= -1.777679 trlgG= -2.480661 logG= -0.693745 TDE= -4.593088 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101121 tlogG= -0.592115 logG= -0.693235 Density= 3.497445 ETOT(band)= -1.776896 trlgG= -2.479945 logG= -0.693235 TDE= -4.593117 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101190 tlogG= -0.586180 logG= -0.687370 Density= 3.497918 ETOT(band)= -1.772652 trlgG= -2.467126 logG= -0.687370 TDE= -4.586542 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102000 tlogG= -0.578836 logG= -0.680836 Density= 3.499637 ETOT(band)= -1.766070 trlgG= -2.458976 logG= -0.680836 TDE= -4.586305 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.102879 tlogG= -0.573820 logG= -0.676699 Density= 3.501673 ETOT(band)= -1.760778 trlgG= -2.451931 logG= -0.676699 TDE= -4.585032 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101324 tlogG= -0.589693 logG= -0.691017 Density= 3.497984 ETOT(band)= -1.774762 trlgG= -2.475868 logG= -0.691017 TDE= -4.591691 logGD-logG0= -0.102176 tlogG= -0.578166 logG= -0.680342 Density= 3.500022 ETOT(band)= -1.765240 trlgG= -2.458128 logG= -0.680342 TDE= -4.586261 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101761 tlogG= -0.581559 logG= -0.683319 Density= 3.499176 ETOT(band)= -1.768333 trlgG= -2.462592 logG= -0.683319 TDE= -4.587069 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102087 tlogG= -0.578646 logG= -0.680734 Density= 3.499910 ETOT(band)= -1.765690 trlgG= -2.458583 logG= -0.680734 TDE= -4.586235 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101326 tlogG= -0.587525 logG= -0.688851 Density= 3.498217 ETOT(band)= -1.773160 trlgG= -2.470969 logG= -0.688851 TDE= -4.589144 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101241 tlogG= -0.587896 logG= -0.689136 Density= 3.498117 ETOT(band)= -1.773521 trlgG= -2.470730 logG= -0.689136 TDE= -4.588540 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101910 tlogG= -0.580966 logG= -0.682876 Density= 3.499484 ETOT(band)= -1.767625 trlgG= -2.462086 logG= -0.682876 TDE= -4.587253 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101716 tlogG= -0.582259 logG= -0.683975 Density= 3.498978 ETOT(band)= -1.768931 trlgG= -2.464325 logG= -0.683975 TDE= -4.587988 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101679 tlogG= -0.582844 logG= -0.684523 Density= 3.499154 ETOT(band)= -1.769211 trlgG= -2.463575 logG= -0.684523 TDE= -4.586831 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101164 tlogG= -0.588678 logG= -0.689842 Density= 3.497755 ETOT(band)= -1.774405 trlgG= -2.472845 logG= -0.689842 TDE= -4.589659 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101272 tlogG= -0.589801 logG= -0.691073 Density= 3.497791 ETOT(band)= -1.775035 trlgG= -2.476214 logG= -0.691073 TDE= -4.591826 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101309 tlogG= -0.591411 logG= -0.692720 Density= 3.497846 ETOT(band)= -1.776028 trlgG= -2.479338 logG= -0.692720 TDE= -4.593346 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.102408 tlogG= -0.575551 logG= -0.677959 Density= 3.500543 ETOT(band)= -1.763016 trlgG= -2.454346 logG= -0.677959 TDE= -4.585280 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101452 tlogG= -0.585027 logG= -0.686479 Density= 3.498391 ETOT(band)= -1.771348 trlgG= -2.468084 logG= -0.686479 TDE= -4.588771 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101424 tlogG= -0.585684 logG= -0.687107 Density= 3.498713 ETOT(band)= -1.771516 trlgG= -2.466199 logG= -0.687107 TDE= -4.586517 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100982 tlogG= -0.590975 logG= -0.691956 Density= 3.497242 ETOT(band)= -1.776412 trlgG= -2.476995 logG= -0.691956 TDE= -4.591283 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101469 tlogG= -0.585439 logG= -0.686908 Density= 3.498709 ETOT(band)= -1.771334 trlgG= -2.466950 logG= -0.686908 TDE= -4.587463 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101600 tlogG= -0.582765 logG= -0.684365 Density= 3.498737 ETOT(band)= -1.769530 trlgG= -2.464462 logG= -0.684365 TDE= -4.587540 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101256 tlogG= -0.585882 logG= -0.687138 Density= 3.497967 ETOT(band)= -1.772369 trlgG= -2.468169 logG= -0.687138 TDE= -4.587856 logGD-logG0= -0.101419 tlogG= -0.587564 logG= -0.688984 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 Density= 3.498255 ETOT(band)= -1.773120 trlgG= -2.472563 logG= -0.688984 TDE= -4.590637 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101351 tlogG= -0.585534 logG= -0.686885 Density= 3.498205 ETOT(band)= -1.771915 trlgG= -2.467848 logG= -0.686885 TDE= -4.587980 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101121 tlogG= -0.590412 logG= -0.691533 Density= 3.497476 ETOT(band)= -1.775769 trlgG= -2.476654 logG= -0.691533 TDE= -4.591554 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101546 tlogG= -0.584825 logG= -0.686370 Density= 3.498717 ETOT(band)= -1.770891 trlgG= -2.467575 logG= -0.686370 TDE= -4.588632 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101411 tlogG= -0.587105 logG= -0.688516 Density= 3.498368 ETOT(band)= -1.772712 trlgG= -2.470923 logG= -0.688516 TDE= -4.589555 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101502 tlogG= -0.583231 logG= -0.684733 Density= 3.498558 ETOT(band)= -1.770051 trlgG= -2.464387 logG= -0.684733 TDE= -4.586955 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101584 tlogG= -0.584491 logG= -0.686074 Density= 3.498665 ETOT(band)= -1.770712 trlgG= -2.467915 logG= -0.686074 TDE= -4.589226 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101283 tlogG= -0.587372 logG= -0.688655 Density= 3.497889 ETOT(band)= -1.773371 trlgG= -2.471767 logG= -0.688655 TDE= -4.589876 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101080 tlogG= -0.588251 logG= -0.689331 Density= 3.497557 ETOT(band)= -1.774341 trlgG= -2.471378 logG= -0.689331 TDE= -4.588545 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102452 tlogG= -0.577262 logG= -0.679714 Density= 3.500745 ETOT(band)= -1.763961 trlgG= -2.456997 logG= -0.679714 TDE= -4.586339 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101180 tlogG= -0.590282 logG= -0.691462 Density= 3.497687 ETOT(band)= -1.775458 trlgG= -2.476320 logG= -0.691462 TDE= -4.591459 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102640 tlogG= -0.574706 logG= -0.677346 Density= 3.501081 ETOT(band)= -1.761935 trlgG= -2.453052 logG= -0.677346 TDE= -4.585031 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102066 tlogG= -0.580318 logG= -0.682384 Density= 3.499850 ETOT(band)= -1.766824 trlgG= -2.461653 logG= -0.682384 TDE= -4.587606 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101178 tlogG= -0.587840 logG= -0.689018 Density= 3.497699 ETOT(band)= -1.773903 trlgG= -2.471829 logG= -0.689018 TDE= -4.589422 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101670 tlogG= -0.584314 logG= -0.685983 Density= 3.498972 ETOT(band)= -1.770299 trlgG= -2.467439 logG= -0.685983 TDE= -4.589089 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102266 tlogG= -0.577987 logG= -0.680253 Density= 3.500301 ETOT(band)= -1.764875 trlgG= -2.457730 logG= -0.680253 TDE= -4.586176 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101533 tlogG= -0.585147 logG= -0.686679 Density= 3.498761 ETOT(band)= -1.771066 trlgG= -2.467284 logG= -0.686679 TDE= -4.588068 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101451 tlogG= -0.585313 logG= -0.686764 Density= 3.498551 ETOT(band)= -1.771423 trlgG= -2.467413 logG= -0.686764 TDE= -4.587944 logGD-logG0= -0.101283 tlogG= -0.588139 logG= -0.689422 Density= 3.497970 ETOT(band)= -1.773800 trlgG= -2.472864 logG= -0.689422 TDE= -4.590270 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101882 tlogG= -0.581942 logG= -0.683824 Density= 3.499535 ETOT(band)= -1.768210 trlgG= -2.463504 logG= -0.683824 TDE= -4.587764 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102358 tlogG= -0.577432 logG= -0.679791 Density= 3.500460 ETOT(band)= -1.764311 trlgG= -2.457357 logG= -0.679791 TDE= -4.586392 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Sum of eigenvalues= -1156.44703748651 eV TrLogG= -1610.68456019479 eV Ratio to renormalize= 1.000364813338 rho-rho_expected=-0.061266290092 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834720919909723 0.831853462841647 0.835138353826962 0.831765995971044 0.835305102102882 0.831688241022850 0.834971799477479 0.831743270726502 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101449 tlogG= -0.585314 logG= -0.686763 Density= 3.498546 ETOT(band)= -1.771412 trlgG= -2.467401 logG= -0.686763 TDE= -4.587928 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101908 tlogG= -0.580968 logG= -0.682875 Density= 3.499479 ETOT(band)= -1.767614 trlgG= -2.462074 logG= -0.682875 TDE= -4.587238 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101307 tlogG= -0.591413 logG= -0.692719 Density= 3.497840 ETOT(band)= -1.776018 trlgG= -2.479327 logG= -0.692719 TDE= -4.593332 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101417 tlogG= -0.587566 logG= -0.688983 Density= 3.498250 ETOT(band)= -1.773110 trlgG= -2.472551 logG= -0.688983 TDE= -4.590621 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101162 tlogG= -0.588679 logG= -0.689841 Density= 3.497750 ETOT(band)= -1.774395 trlgG= -2.472833 logG= -0.689841 TDE= -4.589643 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101500 tlogG= -0.583232 logG= -0.684732 Density= 3.498553 ETOT(band)= -1.770041 trlgG= -2.464375 logG= -0.684732 TDE= -4.586938 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100963 tlogG= -0.592782 logG= -0.693744 Density= 3.497147 ETOT(band)= -1.777669 trlgG= -2.480650 logG= -0.693744 TDE= -4.593073 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101048 tlogG= -0.590826 logG= -0.691874 logGD-logG0= -0.101270 tlogG= -0.589802 logG= -0.691072 Density= 3.497463 ETOT(band)= -1.776056 trlgG= -2.476716 logG= -0.691874 TDE= -4.591264 Density= 3.497785 ETOT(band)= -1.775024 trlgG= -2.476203 logG= -0.691072 TDE= -4.591811 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101281 tlogG= -0.587373 logG= -0.688654 Density= 3.497884 ETOT(band)= -1.773360 trlgG= -2.471755 logG= -0.688654 TDE= -4.589860 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101409 tlogG= -0.587106 logG= -0.688515 Density= 3.498362 ETOT(band)= -1.772701 trlgG= -2.470911 logG= -0.688515 TDE= -4.589539 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101330 tlogG= -0.585532 logG= -0.686862 Density= 3.498082 ETOT(band)= -1.771984 trlgG= -2.468396 logG= -0.686862 TDE= -4.588452 logGD-logG0= -0.101324 tlogG= -0.587526 logG= -0.688850 Density= 3.498212 ETOT(band)= -1.773150 trlgG= -2.470957 logG= -0.688850 TDE= -4.589129 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101998 tlogG= -0.578837 logG= -0.680835 Density= 3.499632 ETOT(band)= -1.766059 trlgG= -2.458963 logG= -0.680835 TDE= -4.586289 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102174 tlogG= -0.578167 logG= -0.680341 Density= 3.500017 ETOT(band)= -1.765229 trlgG= -2.458116 logG= -0.680341 TDE= -4.586246 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101119 tlogG= -0.590413 logG= -0.691532 Density= 3.497471 ETOT(band)= -1.775759 trlgG= -2.476643 logG= -0.691532 TDE= -4.591539 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101544 tlogG= -0.584826 logG= -0.686370 Density= 3.498711 ETOT(band)= -1.770880 trlgG= -2.467563 logG= -0.686370 TDE= -4.588616 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101188 tlogG= -0.586182 logG= -0.687369 Density= 3.497913 ETOT(band)= -1.772642 trlgG= -2.467113 logG= -0.687369 TDE= -4.586526 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101349 tlogG= -0.585535 logG= -0.686884 Density= 3.498200 ETOT(band)= -1.771905 trlgG= -2.467835 logG= -0.686884 TDE= -4.587964 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101714 tlogG= -0.582260 logG= -0.683974 Density= 3.498973 ETOT(band)= -1.768921 trlgG= -2.464313 logG= -0.683974 TDE= -4.587972 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101078 tlogG= -0.588252 logG= -0.689330 Density= 3.497552 ETOT(band)= -1.774331 trlgG= -2.471366 logG= -0.689330 TDE= -4.588529 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102356 tlogG= -0.577433 logG= -0.679790 Density= 3.500455 ETOT(band)= -1.764301 trlgG= -2.457345 logG= -0.679790 TDE= -4.586377 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101119 tlogG= -0.592116 logG= -0.693235 Density= 3.497439 ETOT(band)= -1.776886 trlgG= -2.479934 logG= -0.693235 TDE= -4.593102 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102638 tlogG= -0.574707 logG= -0.677345 Density= 3.501076 ETOT(band)= -1.761924 trlgG= -2.453040 logG= -0.677345 TDE= -4.585016 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101772 tlogG= -0.582411 logG= -0.684183 Density= 3.499307 ETOT(band)= -1.768735 trlgG= -2.463606 logG= -0.684183 TDE= -4.587325 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101239 tlogG= -0.587897 logG= -0.689136 Density= 3.498112 ETOT(band)= -1.773510 trlgG= -2.470718 logG= -0.689136 TDE= -4.588524 logGD-logG0= -0.101281 tlogG= -0.588141 logG= -0.689421 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 Density= 3.497965 ETOT(band)= -1.773790 trlgG= -2.472852 logG= -0.689421 TDE= -4.590255 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101530 tlogG= -0.585148 logG= -0.686678 Density= 3.498756 ETOT(band)= -1.771055 trlgG= -2.467271 logG= -0.686678 TDE= -4.588052 logGD-logG0= -0.101467 tlogG= -0.585440 logG= -0.686907 Density= 3.498704 ETOT(band)= -1.771324 trlgG= -2.466937 logG= -0.686907 TDE= -4.587447 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101758 tlogG= -0.581560 logG= -0.683319 Density= 3.499171 ETOT(band)= -1.768322 trlgG= -2.462579 logG= -0.683319 TDE= -4.587053 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101422 tlogG= -0.585685 logG= -0.687106 Density= 3.498708 ETOT(band)= -1.771505 trlgG= -2.466187 logG= -0.687106 TDE= -4.586501 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102877 tlogG= -0.573821 logG= -0.676698 Density= 3.501668 ETOT(band)= -1.760767 trlgG= -2.451919 logG= -0.676698 TDE= -4.585017 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.102064 tlogG= -0.580319 logG= -0.682383 Density= 3.499845 ETOT(band)= -1.766814 trlgG= -2.461641 logG= -0.682383 TDE= -4.587591 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101582 tlogG= -0.584492 logG= -0.686073 Density= 3.498659 ETOT(band)= -1.770702 trlgG= -2.467903 logG= -0.686073 TDE= -4.589211 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102085 tlogG= -0.578647 logG= -0.680733 Density= 3.499905 ETOT(band)= -1.765679 trlgG= -2.458570 logG= -0.680733 TDE= -4.586218 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101668 tlogG= -0.584315 logG= -0.685982 Density= 3.498967 ETOT(band)= -1.770288 trlgG= -2.467427 logG= -0.685982 TDE= -4.589073 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101677 tlogG= -0.582845 logG= -0.684522 Density= 3.499149 ETOT(band)= -1.769200 trlgG= -2.463562 logG= -0.684522 TDE= -4.586815 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101253 tlogG= -0.585883 logG= -0.687137 Density= 3.497961 ETOT(band)= -1.772359 trlgG= -2.468156 logG= -0.687137 TDE= -4.587841 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101450 tlogG= -0.585028 logG= -0.686478 Density= 3.498386 ETOT(band)= -1.771338 trlgG= -2.468071 logG= -0.686478 TDE= -4.588755 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101176 tlogG= -0.587841 logG= -0.689017 Density= 3.497694 ETOT(band)= -1.773892 trlgG= -2.471817 logG= -0.689017 TDE= -4.589406 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102264 tlogG= -0.577988 logG= -0.680252 Density= 3.500296 ETOT(band)= -1.764865 trlgG= -2.457718 logG= -0.680252 TDE= -4.586161 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.100980 tlogG= -0.590976 logG= -0.691956 Density= 3.497237 ETOT(band)= -1.776402 trlgG= -2.476983 logG= -0.691956 TDE= -4.591268 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102450 tlogG= -0.577263 logG= -0.679713 Density= 3.500740 ETOT(band)= -1.763951 trlgG= -2.456986 logG= -0.679713 TDE= -4.586324 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101322 tlogG= -0.589694 logG= -0.691016 Density= 3.497979 ETOT(band)= -1.774751 trlgG= -2.475857 logG= -0.691016 TDE= -4.591676 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101178 tlogG= -0.590284 logG= -0.691462 Density= 3.497681 ETOT(band)= -1.775448 trlgG= -2.476309 logG= -0.691462 TDE= -4.591444 logGD-logG0= -0.102406 tlogG= -0.575552 logG= -0.677958 Density= 3.500537 ETOT(band)= -1.763006 trlgG= -2.454333 logG= -0.677958 TDE= -4.585264 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101880 tlogG= -0.581943 logG= -0.683823 Density= 3.499530 ETOT(band)= -1.768200 trlgG= -2.463492 logG= -0.683823 TDE= -4.587748 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101598 tlogG= -0.582766 logG= -0.684364 Density= 3.498731 ETOT(band)= -1.769520 trlgG= -2.464450 logG= -0.684364 TDE= -4.587525 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 Sum of eigenvalues= -1156.44014579452 eV TrLogG= -1610.67385019120 eV Ratio to renormalize= 1.000366351867 rho-rho_expected=-0.061524574043 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 31) Finished k-point number 32 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= 0.834720279970093 0.831852935484857 0.835137725421932 0.831765462495173 0.835304468061134 0.831687711496241 0.834971163099108 0.831742742639841 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101324 tlogG= -0.587526 logG= -0.688849 Density= 3.498211 ETOT(band)= -1.773148 trlgG= -2.470954 logG= -0.688849 TDE= -4.589127 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100962 tlogG= -0.592781 logG= -0.693744 Density= 3.497146 ETOT(band)= -1.777668 trlgG= -2.480647 logG= -0.693744 TDE= -4.593071 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101998 tlogG= -0.578837 logG= -0.680834 Density= 3.499631 ETOT(band)= -1.766058 trlgG= -2.458961 logG= -0.680834 TDE= -4.586287 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101077 tlogG= -0.588251 logG= -0.689329 Density= 3.497551 ETOT(band)= -1.774329 trlgG= -2.471364 logG= -0.689329 TDE= -4.588527 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102173 tlogG= -0.578166 logG= -0.680340 Density= 3.500016 ETOT(band)= -1.765228 trlgG= -2.458114 logG= -0.680340 TDE= -4.586244 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101270 tlogG= -0.589801 logG= -0.691071 Density= 3.497784 ETOT(band)= -1.775023 trlgG= -2.476201 logG= -0.691071 TDE= -4.591809 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101238 tlogG= -0.587896 logG= -0.689135 Density= 3.498111 ETOT(band)= -1.773509 trlgG= -2.470716 logG= -0.689135 TDE= -4.588522 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101187 tlogG= -0.586181 logG= -0.687368 Density= 3.497912 ETOT(band)= -1.772641 trlgG= -2.467111 logG= -0.687368 TDE= -4.586524 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101047 tlogG= -0.590826 logG= -0.691873 Density= 3.497462 ETOT(band)= -1.776054 trlgG= -2.476714 logG= -0.691873 TDE= -4.591262 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101667 tlogG= -0.584314 logG= -0.685981 Density= 3.498966 ETOT(band)= -1.770287 trlgG= -2.467425 logG= -0.685981 TDE= -4.589071 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101321 tlogG= -0.589693 logG= -0.691015 Density= 3.497978 ETOT(band)= -1.774750 trlgG= -2.475855 logG= -0.691015 TDE= -4.591674 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101162 tlogG= -0.588679 logG= -0.689840 Density= 3.497749 ETOT(band)= -1.774394 trlgG= -2.472830 logG= -0.689840 TDE= -4.589641 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102264 tlogG= -0.577987 logG= -0.680251 Density= 3.500295 ETOT(band)= -1.764863 trlgG= -2.457716 logG= -0.680251 TDE= -4.586159 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101176 tlogG= -0.587840 logG= -0.689016 Density= 3.497693 ETOT(band)= -1.773891 trlgG= -2.471815 logG= -0.689016 TDE= -4.589404 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101306 tlogG= -0.591412 logG= -0.692718 Density= 3.497839 ETOT(band)= -1.776017 trlgG= -2.479325 logG= -0.692718 TDE= -4.593330 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101178 tlogG= -0.590283 logG= -0.691461 Density= 3.497681 ETOT(band)= -1.775447 trlgG= -2.476307 logG= -0.691461 TDE= -4.591442 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101449 tlogG= -0.585314 logG= -0.686762 Density= 3.498545 ETOT(band)= -1.771411 trlgG= -2.467398 logG= -0.686762 TDE= -4.587926 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101530 tlogG= -0.585147 logG= -0.686677 Density= 3.498755 ETOT(band)= -1.771054 trlgG= -2.467269 logG= -0.686677 TDE= -4.588050 logGD-logG0= -0.102063 tlogG= -0.580319 logG= -0.682382 Density= 3.499844 ETOT(band)= -1.766813 trlgG= -2.461638 logG= -0.682382 TDE= -4.587589 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101758 tlogG= -0.581560 logG= -0.683318 Density= 3.499170 ETOT(band)= -1.768321 trlgG= -2.462577 logG= -0.683318 TDE= -4.587051 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101677 tlogG= -0.582844 logG= -0.684521 Density= 3.499148 ETOT(band)= -1.769199 trlgG= -2.463560 logG= -0.684521 TDE= -4.586813 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102637 tlogG= -0.574706 logG= -0.677344 Density= 3.501075 ETOT(band)= -1.761923 trlgG= -2.453038 logG= -0.677344 TDE= -4.585014 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101449 tlogG= -0.585028 logG= -0.686477 Density= 3.498385 ETOT(band)= -1.771336 trlgG= -2.468069 logG= -0.686477 TDE= -4.588753 logGD-logG0= -0.101280 tlogG= -0.587373 logG= -0.688653 Density= 3.497883 ETOT(band)= -1.773359 trlgG= -2.471753 logG= -0.688653 TDE= -4.589858 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101907 tlogG= -0.580967 logG= -0.682874 Density= 3.499478 ETOT(band)= -1.767613 trlgG= -2.462072 logG= -0.682874 TDE= -4.587236 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101349 tlogG= -0.585534 logG= -0.686883 Density= 3.498199 ETOT(band)= -1.771904 trlgG= -2.467833 logG= -0.686883 TDE= -4.587962 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101543 tlogG= -0.584825 logG= -0.686369 Density= 3.498711 ETOT(band)= -1.770879 trlgG= -2.467560 logG= -0.686369 TDE= -4.588615 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101500 tlogG= -0.583231 logG= -0.684731 Density= 3.498552 ETOT(band)= -1.770040 trlgG= -2.464372 logG= -0.684731 TDE= -4.586936 logGD-logG0= -0.101118 tlogG= -0.592115 logG= -0.693234 Density= 3.497438 ETOT(band)= -1.776885 trlgG= -2.479932 logG= -0.693234 TDE= -4.593100 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101329 tlogG= -0.585531 logG= -0.686861 Density= 3.498081 ETOT(band)= -1.771983 trlgG= -2.468393 logG= -0.686861 TDE= -4.588451 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101417 tlogG= -0.587565 logG= -0.688982 Density= 3.498249 ETOT(band)= -1.773109 trlgG= -2.472549 logG= -0.688982 TDE= -4.590619 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101581 tlogG= -0.584491 logG= -0.686072 Density= 3.498658 ETOT(band)= -1.770700 trlgG= -2.467900 logG= -0.686072 TDE= -4.589209 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101118 tlogG= -0.590412 logG= -0.691531 Density= 3.497470 ETOT(band)= -1.775758 trlgG= -2.476641 logG= -0.691531 TDE= -4.591537 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101772 tlogG= -0.582410 logG= -0.684182 Density= 3.499306 ETOT(band)= -1.768733 trlgG= -2.463604 logG= -0.684182 TDE= -4.587323 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102356 tlogG= -0.577433 logG= -0.679789 Density= 3.500454 ETOT(band)= -1.764300 trlgG= -2.457343 logG= -0.679789 TDE= -4.586375 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101280 tlogG= -0.588140 logG= -0.689420 Density= 3.497964 ETOT(band)= -1.773789 trlgG= -2.472850 logG= -0.689420 TDE= -4.590253 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101421 tlogG= -0.585684 logG= -0.687105 Density= 3.498707 ETOT(band)= -1.771504 trlgG= -2.466184 logG= -0.687105 TDE= -4.586499 logGD-logG0= -0.102449 tlogG= -0.577262 logG= -0.679712 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Density= 3.500739 ETOT(band)= -1.763949 trlgG= -2.456983 logG= -0.679712 TDE= -4.586322 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101467 tlogG= -0.585439 logG= -0.686906 Density= 3.498703 ETOT(band)= -1.771322 trlgG= -2.466935 logG= -0.686906 TDE= -4.587445 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.100979 tlogG= -0.590975 logG= -0.691955 Density= 3.497236 ETOT(band)= -1.776401 trlgG= -2.476981 logG= -0.691955 TDE= -4.591266 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101713 tlogG= -0.582260 logG= -0.683973 Density= 3.498972 ETOT(band)= -1.768920 trlgG= -2.464310 logG= -0.683973 TDE= -4.587970 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101880 tlogG= -0.581942 logG= -0.683822 Density= 3.499529 ETOT(band)= -1.768199 trlgG= -2.463489 logG= -0.683822 TDE= -4.587746 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101408 tlogG= -0.587105 logG= -0.688514 Density= 3.498362 ETOT(band)= -1.772700 trlgG= -2.470909 logG= -0.688514 TDE= -4.589537 logGD-logG0= -0.102085 tlogG= -0.578647 logG= -0.680732 Density= 3.499904 ETOT(band)= -1.765678 trlgG= -2.458568 logG= -0.680732 TDE= -4.586216 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102405 tlogG= -0.575551 logG= -0.677957 Density= 3.500536 ETOT(band)= -1.763005 trlgG= -2.454331 logG= -0.677957 TDE= -4.585262 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101253 tlogG= -0.585883 logG= -0.687136 Density= 3.497961 ETOT(band)= -1.772358 trlgG= -2.468154 logG= -0.687136 TDE= -4.587839 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101598 tlogG= -0.582765 logG= -0.684363 Density= 3.498730 ETOT(band)= -1.769518 trlgG= -2.464447 logG= -0.684363 TDE= -4.587523 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102876 tlogG= -0.573820 logG= -0.676697 Density= 3.501667 ETOT(band)= -1.760766 trlgG= -2.451917 logG= -0.676697 TDE= -4.585015 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 Sum of eigenvalues= -1156.43939974582 eV TrLogG= -1610.67194608045 eV Ratio to renormalize= 1.000366604384 rho-rho_expected=-0.061566965719 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834681524369839 0.831814017982370 0.835099161603154 0.831726403429404 0.835266162498036 0.831648584945388 0.834932469875869 0.831703775181218 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101284 tlogG= -0.591411 logG= -0.692696 Density= 3.497786 ETOT(band)= -1.775989 trlgG= -2.479283 logG= -0.692696 TDE= -4.593268 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101327 tlogG= -0.585532 logG= -0.686859 Density= 3.498147 ETOT(band)= -1.771874 trlgG= -2.467772 logG= -0.686859 TDE= -4.587884 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101387 tlogG= -0.587103 logG= -0.688490 Density= 3.498310 ETOT(band)= -1.772670 trlgG= -2.470853 logG= -0.688490 TDE= -4.589463 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101692 tlogG= -0.582257 logG= -0.683949 Density= 3.498920 ETOT(band)= -1.768890 trlgG= -2.464253 logG= -0.683949 TDE= -4.587894 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101427 tlogG= -0.585311 logG= -0.686738 Density= 3.498493 ETOT(band)= -1.771381 trlgG= -2.467338 logG= -0.686738 TDE= -4.587848 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101736 tlogG= -0.581557 logG= -0.683293 Density= 3.499118 ETOT(band)= -1.768291 trlgG= -2.462514 logG= -0.683293 TDE= -4.586970 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101026 tlogG= -0.590824 logG= -0.691849 Density= 3.497410 ETOT(band)= -1.776025 trlgG= -2.476662 logG= -0.691849 TDE= -4.591191 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101248 tlogG= -0.589800 logG= -0.691048 Density= 3.497732 ETOT(band)= -1.774995 trlgG= -2.476155 logG= -0.691048 TDE= -4.591744 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101395 tlogG= -0.587563 logG= -0.688958 Density= 3.498196 ETOT(band)= -1.773080 trlgG= -2.472493 logG= -0.688958 TDE= -4.590544 logGD-logG0= -0.101308 tlogG= -0.585529 logG= -0.686837 Density= 3.498029 ETOT(band)= -1.771953 trlgG= -2.468335 logG= -0.686837 TDE= -4.588375 logGD-logG0= -0.102427 tlogG= -0.577261 logG= -0.679688 Density= 3.500686 ETOT(band)= -1.763920 trlgG= -2.456928 logG= -0.679688 TDE= -4.586249 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101140 tlogG= -0.588676 logG= -0.689816 Density= 3.497697 ETOT(band)= -1.774365 trlgG= -2.472773 logG= -0.689816 TDE= -4.589566 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101508 tlogG= -0.585145 logG= -0.686653 Density= 3.498703 ETOT(band)= -1.771024 trlgG= -2.467207 logG= -0.686653 TDE= -4.587971 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101216 tlogG= -0.587894 logG= -0.689110 Density= 3.498059 ETOT(band)= -1.773479 trlgG= -2.470660 logG= -0.689110 TDE= -4.588450 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101858 tlogG= -0.581940 logG= -0.683798 Density= 3.499477 ETOT(band)= -1.768169 trlgG= -2.463431 logG= -0.683798 TDE= -4.587670 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.100940 tlogG= -0.592780 logG= -0.693720 Density= 3.497094 ETOT(band)= -1.777640 trlgG= -2.480596 logG= -0.693720 TDE= -4.593001 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101056 tlogG= -0.588249 logG= -0.689305 Density= 3.497499 ETOT(band)= -1.774300 trlgG= -2.471307 logG= -0.689305 TDE= -4.588453 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102151 tlogG= -0.578164 logG= -0.680316 Density= 3.499964 ETOT(band)= -1.765199 trlgG= -2.458058 logG= -0.680316 TDE= -4.586171 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101576 tlogG= -0.582763 logG= -0.684339 Density= 3.498678 ETOT(band)= -1.769489 trlgG= -2.464389 logG= -0.684339 TDE= -4.587447 logGD-logG0= -0.101885 tlogG= -0.580965 logG= -0.682850 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Density= 3.499426 ETOT(band)= -1.767583 trlgG= -2.462014 logG= -0.682850 TDE= -4.587160 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101976 tlogG= -0.578835 logG= -0.680810 Density= 3.499579 ETOT(band)= -1.766028 trlgG= -2.458897 logG= -0.680810 TDE= -4.586206 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101302 tlogG= -0.587523 logG= -0.688825 Density= 3.498159 ETOT(band)= -1.773119 trlgG= -2.470897 logG= -0.688825 TDE= -4.589052 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102334 tlogG= -0.577431 logG= -0.679765 Density= 3.500401 ETOT(band)= -1.764270 trlgG= -2.457288 logG= -0.679765 TDE= -4.586302 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101478 tlogG= -0.583229 logG= -0.684707 Density= 3.498500 ETOT(band)= -1.770010 trlgG= -2.464309 logG= -0.684707 TDE= -4.586856 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102383 tlogG= -0.575549 logG= -0.677932 Density= 3.500484 ETOT(band)= -1.762975 trlgG= -2.454268 logG= -0.677932 TDE= -4.585181 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101166 tlogG= -0.586178 logG= -0.687344 Density= 3.497860 ETOT(band)= -1.772610 trlgG= -2.467052 logG= -0.687344 TDE= -4.586448 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101156 tlogG= -0.590281 logG= -0.691437 Density= 3.497628 ETOT(band)= -1.775418 trlgG= -2.476256 logG= -0.691437 TDE= -4.591373 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101428 tlogG= -0.585026 logG= -0.686453 Density= 3.498333 ETOT(band)= -1.771307 trlgG= -2.468011 logG= -0.686453 TDE= -4.588677 logGD-logG0= -0.101521 tlogG= -0.584823 logG= -0.686344 Density= 3.498659 ETOT(band)= -1.770850 trlgG= -2.467502 logG= -0.686344 TDE= -4.588538 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101445 tlogG= -0.585436 logG= -0.686881 Density= 3.498651 ETOT(band)= -1.771292 trlgG= -2.466872 logG= -0.686881 TDE= -4.587366 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101258 tlogG= -0.587371 logG= -0.688629 Density= 3.497831 ETOT(band)= -1.773330 trlgG= -2.471696 logG= -0.688629 TDE= -4.589783 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.100958 tlogG= -0.590974 logG= -0.691931 Density= 3.497184 ETOT(band)= -1.776372 trlgG= -2.476929 logG= -0.691931 TDE= -4.591195 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101096 tlogG= -0.592114 logG= -0.693211 Density= 3.497386 ETOT(band)= -1.776857 trlgG= -2.479885 logG= -0.693211 TDE= -4.593034 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102063 tlogG= -0.578644 logG= -0.680707 Density= 3.499852 ETOT(band)= -1.765648 trlgG= -2.458504 logG= -0.680707 TDE= -4.586135 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101655 tlogG= -0.582841 logG= -0.684496 Density= 3.499097 ETOT(band)= -1.769168 trlgG= -2.463496 logG= -0.684496 TDE= -4.586733 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101154 tlogG= -0.587838 logG= -0.688992 Density= 3.497641 ETOT(band)= -1.773862 trlgG= -2.471758 logG= -0.688992 TDE= -4.589330 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101750 tlogG= -0.582407 logG= -0.684157 Density= 3.499254 ETOT(band)= -1.768703 trlgG= -2.463545 logG= -0.684157 TDE= -4.587247 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101400 tlogG= -0.585681 logG= -0.687080 Density= 3.498656 ETOT(band)= -1.771473 trlgG= -2.466122 logG= -0.687080 TDE= -4.586421 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101259 tlogG= -0.588138 logG= -0.689397 Density= 3.497912 ETOT(band)= -1.773760 trlgG= -2.472793 logG= -0.689397 TDE= -4.590177 logGD-logG0= -0.101645 tlogG= -0.584312 logG= -0.685958 Density= 3.498914 ETOT(band)= -1.770258 trlgG= -2.467368 logG= -0.685958 TDE= -4.588996 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102041 tlogG= -0.580317 logG= -0.682358 Density= 3.499792 ETOT(band)= -1.766783 trlgG= -2.461581 logG= -0.682358 TDE= -4.587513 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101097 tlogG= -0.590411 logG= -0.691508 Density= 3.497418 ETOT(band)= -1.775729 trlgG= -2.476592 logG= -0.691508 TDE= -4.591470 logGD-logG0= -0.102854 tlogG= -0.573819 logG= -0.676673 Density= 3.501614 ETOT(band)= -1.760737 trlgG= -2.451863 logG= -0.676673 TDE= -4.584942 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102615 tlogG= -0.574705 logG= -0.677320 Density= 3.501022 ETOT(band)= -1.761894 trlgG= -2.452981 logG= -0.677320 TDE= -4.584939 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101300 tlogG= -0.589692 logG= -0.690992 Density= 3.497925 ETOT(band)= -1.774722 trlgG= -2.475808 logG= -0.690992 TDE= -4.591608 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102242 tlogG= -0.577985 logG= -0.680227 Density= 3.500243 ETOT(band)= -1.764834 trlgG= -2.457661 logG= -0.680227 TDE= -4.586086 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101559 tlogG= -0.584489 logG= -0.686049 Density= 3.498606 ETOT(band)= -1.770671 trlgG= -2.467843 logG= -0.686049 TDE= -4.589133 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101232 tlogG= -0.585880 logG= -0.687112 Density= 3.497909 ETOT(band)= -1.772328 trlgG= -2.468095 logG= -0.687112 TDE= -4.587763 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 Sum of eigenvalues= -1156.42020969008 eV TrLogG= -1610.60761939496 eV Ratio to renormalize= 1.000381496991 rho-rho_expected=-0.064067053146 nargs= 1 argi=dmft2.def 19) Finished k-point number 20 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 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 7) Finished k-point number 8 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 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= 105 30) Finished k-point number 31 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 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= 0.834671341034762 0.831803804576922 0.835089051093024 0.831716139330702 0.835256117723460 0.831638298669774 0.834922311812228 0.831693532433419 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101134 tlogG= -0.592782 logG= -0.693917 Density= 3.497021 ETOT(band)= -1.777673 trlgG= -2.480834 logG= -0.693917 TDE= -4.592984 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101496 tlogG= -0.587526 logG= -0.689021 Density= 3.498085 ETOT(band)= -1.773154 trlgG= -2.471135 logG= -0.689021 TDE= -4.589034 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101502 tlogG= -0.585531 logG= -0.687033 Density= 3.497955 ETOT(band)= -1.771988 trlgG= -2.468573 logG= -0.687033 TDE= -4.588356 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101478 tlogG= -0.591414 logG= -0.692892 Density= 3.497712 ETOT(band)= -1.776024 trlgG= -2.479524 logG= -0.692892 TDE= -4.593253 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.101442 tlogG= -0.589803 logG= -0.691245 Density= 3.497658 ETOT(band)= -1.775030 trlgG= -2.476395 logG= -0.691245 TDE= -4.591728 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101410 tlogG= -0.587896 logG= -0.689306 Density= 3.497985 ETOT(band)= -1.773514 trlgG= -2.470898 logG= -0.689306 TDE= -4.588433 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101452 tlogG= -0.587373 logG= -0.688826 Density= 3.497757 ETOT(band)= -1.773365 trlgG= -2.471933 logG= -0.688826 TDE= -4.589765 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101220 tlogG= -0.590826 logG= -0.692046 Density= 3.497337 ETOT(band)= -1.776059 trlgG= -2.476900 logG= -0.692046 TDE= -4.591174 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=141 logGD-logG0= -0.101589 tlogG= -0.587566 logG= -0.689155 Density= 3.498121 ETOT(band)= -1.773115 trlgG= -2.472731 logG= -0.689155 TDE= -4.590526 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101930 tlogG= -0.581560 logG= -0.683489 Density= 3.499041 ETOT(band)= -1.768328 trlgG= -2.462752 logG= -0.683489 TDE= -4.586950 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101672 tlogG= -0.583231 logG= -0.684903 Density= 3.498425 ETOT(band)= -1.770045 trlgG= -2.464546 logG= -0.684903 TDE= -4.586836 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101425 tlogG= -0.585882 logG= -0.687308 Density= 3.497835 ETOT(band)= -1.772362 trlgG= -2.468332 logG= -0.687308 TDE= -4.587744 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.101360 tlogG= -0.586180 logG= -0.687540 Density= 3.497786 ETOT(band)= -1.772645 trlgG= -2.467289 logG= -0.687540 TDE= -4.586430 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.103047 tlogG= -0.573822 logG= -0.676869 Density= 3.501531 ETOT(band)= -1.760777 trlgG= -2.452108 logG= -0.676869 TDE= -4.584925 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.102809 tlogG= -0.574707 logG= -0.677516 Density= 3.500941 ETOT(band)= -1.761933 trlgG= -2.453224 logG= -0.677516 TDE= -4.584921 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101521 tlogG= -0.585534 logG= -0.687055 Density= 3.498072 ETOT(band)= -1.771909 trlgG= -2.468009 logG= -0.687055 TDE= -4.587865 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101334 tlogG= -0.588679 logG= -0.690012 Density= 3.497623 ETOT(band)= -1.774399 trlgG= -2.473010 logG= -0.690012 TDE= -4.589548 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101580 tlogG= -0.587106 logG= -0.688686 Density= 3.498235 ETOT(band)= -1.772706 trlgG= -2.471091 logG= -0.688686 TDE= -4.589445 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102052 tlogG= -0.581943 logG= -0.683994 Density= 3.499399 ETOT(band)= -1.768206 trlgG= -2.463671 logG= -0.683994 TDE= -4.587652 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101715 tlogG= -0.584825 logG= -0.686541 Density= 3.498583 ETOT(band)= -1.770885 trlgG= -2.467740 logG= -0.686541 TDE= -4.588520 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102169 tlogG= -0.578837 logG= -0.681006 Density= 3.499501 ETOT(band)= -1.766065 trlgG= -2.459136 logG= -0.681006 TDE= -4.586186 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102079 tlogG= -0.580967 logG= -0.683046 Density= 3.499348 ETOT(band)= -1.767620 trlgG= -2.462254 logG= -0.683046 TDE= -4.587142 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102527 tlogG= -0.577434 logG= -0.679961 Density= 3.500322 ETOT(band)= -1.764308 trlgG= -2.457530 logG= -0.679961 TDE= -4.586285 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102345 tlogG= -0.578167 logG= -0.680512 Density= 3.499885 ETOT(band)= -1.765236 trlgG= -2.458300 logG= -0.680512 TDE= -4.586153 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101593 tlogG= -0.585683 logG= -0.687276 Density= 3.498580 ETOT(band)= -1.771509 trlgG= -2.466359 logG= -0.687276 TDE= -4.586401 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101770 tlogG= -0.582765 logG= -0.684535 Density= 3.498603 ETOT(band)= -1.769524 trlgG= -2.464628 logG= -0.684535 TDE= -4.587429 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101348 tlogG= -0.587841 logG= -0.689189 Density= 3.497568 ETOT(band)= -1.773896 trlgG= -2.471995 logG= -0.689189 TDE= -4.589311 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101350 tlogG= -0.590284 logG= -0.691633 Density= 3.497555 ETOT(band)= -1.775453 trlgG= -2.476495 logG= -0.691633 TDE= -4.591357 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101621 tlogG= -0.585313 logG= -0.686934 Density= 3.498418 ETOT(band)= -1.771416 trlgG= -2.467575 logG= -0.686934 TDE= -4.587829 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101622 tlogG= -0.585028 logG= -0.686650 Density= 3.498258 ETOT(band)= -1.771342 trlgG= -2.468249 logG= -0.686650 TDE= -4.588659 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101249 tlogG= -0.588251 logG= -0.689501 Density= 3.497426 ETOT(band)= -1.774334 trlgG= -2.471544 logG= -0.689501 TDE= -4.588435 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101753 tlogG= -0.584492 logG= -0.686245 Density= 3.498530 ETOT(band)= -1.770707 trlgG= -2.468082 logG= -0.686245 TDE= -4.589115 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101493 tlogG= -0.589695 logG= -0.691188 Density= 3.497851 ETOT(band)= -1.774757 trlgG= -2.476048 logG= -0.691188 TDE= -4.591593 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101885 tlogG= -0.582260 logG= -0.684145 Density= 3.498844 ETOT(band)= -1.768926 trlgG= -2.464491 logG= -0.684145 TDE= -4.587876 logGD-logG0= -0.102235 tlogG= -0.580319 logG= -0.682554 Density= 3.499713 ETOT(band)= -1.766821 trlgG= -2.461822 logG= -0.682554 TDE= -4.587495 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101290 tlogG= -0.592117 logG= -0.693407 Density= 3.497313 ETOT(band)= -1.776891 trlgG= -2.480124 logG= -0.693407 TDE= -4.593018 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102435 tlogG= -0.577987 logG= -0.680423 Density= 3.500164 ETOT(band)= -1.764871 trlgG= -2.457903 logG= -0.680423 TDE= -4.586069 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102577 tlogG= -0.575552 logG= -0.678129 Density= 3.500404 ETOT(band)= -1.763013 trlgG= -2.454509 logG= -0.678129 TDE= -4.585161 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101944 tlogG= -0.582410 logG= -0.684353 Density= 3.499177 ETOT(band)= -1.768740 trlgG= -2.463784 logG= -0.684353 TDE= -4.587228 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101639 tlogG= -0.585439 logG= -0.687077 Density= 3.498576 ETOT(band)= -1.771327 trlgG= -2.467109 logG= -0.687077 TDE= -4.587347 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101839 tlogG= -0.584315 logG= -0.686154 Density= 3.498837 ETOT(band)= -1.770294 trlgG= -2.467607 logG= -0.686154 TDE= -4.588977 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101702 tlogG= -0.585147 logG= -0.686849 Density= 3.498628 ETOT(band)= -1.771060 trlgG= -2.467445 logG= -0.686849 TDE= -4.587952 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101151 tlogG= -0.590976 logG= -0.692127 Density= 3.497111 ETOT(band)= -1.776406 trlgG= -2.477167 logG= -0.692127 TDE= -4.591178 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101291 tlogG= -0.590413 logG= -0.691704 Density= 3.497345 ETOT(band)= -1.775763 trlgG= -2.476831 logG= -0.691704 TDE= -4.591453 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102257 tlogG= -0.578647 logG= -0.680903 Density= 3.499774 ETOT(band)= -1.765685 trlgG= -2.458743 logG= -0.680903 TDE= -4.586115 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101849 tlogG= -0.582843 logG= -0.684692 Density= 3.499020 ETOT(band)= -1.769204 trlgG= -2.463734 logG= -0.684692 TDE= -4.586713 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102621 tlogG= -0.577263 logG= -0.679884 Density= 3.500606 ETOT(band)= -1.763958 trlgG= -2.457171 logG= -0.679884 TDE= -4.586231 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101452 tlogG= -0.588141 logG= -0.689593 Density= 3.497837 ETOT(band)= -1.773795 trlgG= -2.473030 logG= -0.689593 TDE= -4.590159 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.44358675361 eV TrLogG= -1610.72385527888 eV Ratio to renormalize= 1.000403182927 rho-rho_expected=-0.067707433193 nargs= 1 argi=dmft2.def 8) Finished k-point number 9 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 25) Finished k-point number 26 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= 104 7) Finished k-point number 8 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 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 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834683609408088 0.831812447417733 0.835100812782099 0.831725018749086 0.835268261821909 0.831646997367638 0.834934501857247 0.831702216018673 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101415 tlogG= -0.587894 logG= -0.689309 Density= 3.497997 ETOT(band)= -1.773535 trlgG= -2.470924 logG= -0.689309 TDE= -4.588465 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101447 tlogG= -0.589801 logG= -0.691248 Density= 3.497670 ETOT(band)= -1.775050 trlgG= -2.476418 logG= -0.691248 TDE= -4.591758 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102240 tlogG= -0.580318 logG= -0.682558 Density= 3.499726 ETOT(band)= -1.766842 trlgG= -2.461847 logG= -0.682558 TDE= -4.587527 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101365 tlogG= -0.586179 logG= -0.687543 Density= 3.497798 ETOT(band)= -1.772666 trlgG= -2.467316 logG= -0.687543 TDE= -4.586463 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101720 tlogG= -0.584824 logG= -0.686544 Density= 3.498595 ETOT(band)= -1.770906 trlgG= -2.467766 logG= -0.686544 TDE= -4.588552 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102174 tlogG= -0.578835 logG= -0.681010 Density= 3.499513 ETOT(band)= -1.766086 trlgG= -2.459163 logG= -0.681010 TDE= -4.586220 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101677 tlogG= -0.583230 logG= -0.684906 Density= 3.498437 ETOT(band)= -1.770066 trlgG= -2.464573 logG= -0.684906 TDE= -4.586870 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101498 tlogG= -0.589692 logG= -0.691191 Density= 3.497863 ETOT(band)= -1.774778 trlgG= -2.476070 logG= -0.691191 TDE= -4.591622 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101483 tlogG= -0.591412 logG= -0.692895 Density= 3.497725 ETOT(band)= -1.776044 trlgG= -2.479545 logG= -0.692895 TDE= -4.593282 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101626 tlogG= -0.585312 logG= -0.686937 Density= 3.498430 ETOT(band)= -1.771437 trlgG= -2.467602 logG= -0.686937 TDE= -4.587862 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101501 tlogG= -0.587524 logG= -0.689024 Density= 3.498097 ETOT(band)= -1.773174 trlgG= -2.471161 logG= -0.689024 TDE= -4.589066 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102350 tlogG= -0.578165 logG= -0.680515 Density= 3.499897 ETOT(band)= -1.765257 trlgG= -2.458325 logG= -0.680515 TDE= -4.586184 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.102057 tlogG= -0.581941 logG= -0.683998 Density= 3.499412 ETOT(band)= -1.768227 trlgG= -2.463696 logG= -0.683998 TDE= -4.587684 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102532 tlogG= -0.577432 logG= -0.679964 Density= 3.500334 ETOT(band)= -1.764329 trlgG= -2.457555 logG= -0.679964 TDE= -4.586316 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101457 tlogG= -0.587372 logG= -0.688829 Density= 3.497769 ETOT(band)= -1.773385 trlgG= -2.471959 logG= -0.688829 TDE= -4.589797 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102084 tlogG= -0.580966 logG= -0.683050 Density= 3.499361 ETOT(band)= -1.767641 trlgG= -2.462280 logG= -0.683050 TDE= -4.587174 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101224 tlogG= -0.590824 logG= -0.692049 Density= 3.497349 ETOT(band)= -1.776080 trlgG= -2.476924 logG= -0.692049 TDE= -4.591206 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101890 tlogG= -0.582258 logG= -0.684149 Density= 3.498856 ETOT(band)= -1.768947 trlgG= -2.464517 logG= -0.684149 TDE= -4.587908 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101139 tlogG= -0.592780 logG= -0.693919 Density= 3.497034 ETOT(band)= -1.777694 trlgG= -2.480858 logG= -0.693919 TDE= -4.593016 logGD-logG0= -0.101355 tlogG= -0.590282 logG= -0.691637 Density= 3.497567 ETOT(band)= -1.775473 trlgG= -2.476519 logG= -0.691637 TDE= -4.591387 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101339 tlogG= -0.588677 logG= -0.690016 Density= 3.497635 ETOT(band)= -1.774420 trlgG= -2.473036 logG= -0.690016 TDE= -4.589580 logGD-logG0= -0.101598 tlogG= -0.585681 logG= -0.687279 Density= 3.498593 ETOT(band)= -1.771530 trlgG= -2.466387 logG= -0.687279 TDE= -4.586435 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101526 tlogG= -0.585532 logG= -0.687058 Density= 3.498084 ETOT(band)= -1.771930 trlgG= -2.468036 logG= -0.687058 TDE= -4.587898 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101156 tlogG= -0.590974 logG= -0.692130 Density= 3.497123 ETOT(band)= -1.776426 trlgG= -2.477191 logG= -0.692130 TDE= -4.591210 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101935 tlogG= -0.581558 logG= -0.683493 Density= 3.499053 ETOT(band)= -1.768349 trlgG= -2.462779 logG= -0.683493 TDE= -4.586984 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101506 tlogG= -0.585530 logG= -0.687036 Density= 3.497967 ETOT(band)= -1.772009 trlgG= -2.468598 logG= -0.687036 TDE= -4.588389 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101949 tlogG= -0.582408 logG= -0.684357 Density= 3.499190 ETOT(band)= -1.768760 trlgG= -2.463810 logG= -0.684357 TDE= -4.587261 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101844 tlogG= -0.584313 logG= -0.686157 Density= 3.498850 ETOT(band)= -1.770315 trlgG= -2.467632 logG= -0.686157 TDE= -4.589009 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101775 tlogG= -0.582764 logG= -0.684539 Density= 3.498615 ETOT(band)= -1.769545 trlgG= -2.464654 logG= -0.684539 TDE= -4.587461 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102626 tlogG= -0.577262 logG= -0.679887 Density= 3.500619 ETOT(band)= -1.763979 trlgG= -2.457196 logG= -0.679887 TDE= -4.586262 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.103052 tlogG= -0.573820 logG= -0.676872 Density= 3.501544 ETOT(band)= -1.760798 trlgG= -2.452132 logG= -0.676872 TDE= -4.584956 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101295 tlogG= -0.592115 logG= -0.693410 Density= 3.497325 ETOT(band)= -1.776912 trlgG= -2.480147 logG= -0.693410 TDE= -4.593048 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101707 tlogG= -0.585145 logG= -0.686852 Density= 3.498640 ETOT(band)= -1.771081 trlgG= -2.467471 logG= -0.686852 TDE= -4.587985 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101627 tlogG= -0.585026 logG= -0.686653 Density= 3.498270 ETOT(band)= -1.771363 trlgG= -2.468275 logG= -0.686653 TDE= -4.588691 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101594 tlogG= -0.587564 logG= -0.689158 Density= 3.498134 ETOT(band)= -1.773136 trlgG= -2.472756 logG= -0.689158 TDE= -4.590558 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102261 tlogG= -0.578645 logG= -0.680907 Density= 3.499786 ETOT(band)= -1.765706 trlgG= -2.458770 logG= -0.680907 TDE= -4.586149 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101353 tlogG= -0.587839 logG= -0.689192 Density= 3.497580 ETOT(band)= -1.773917 trlgG= -2.472020 logG= -0.689192 TDE= -4.589344 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101254 tlogG= -0.588250 logG= -0.689504 Density= 3.497438 ETOT(band)= -1.774355 trlgG= -2.471570 logG= -0.689504 TDE= -4.588468 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102814 tlogG= -0.574706 logG= -0.677519 Density= 3.500954 ETOT(band)= -1.761954 trlgG= -2.453249 logG= -0.677519 TDE= -4.584953 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101758 tlogG= -0.584490 logG= -0.686248 Density= 3.498543 ETOT(band)= -1.770728 trlgG= -2.468107 logG= -0.686248 TDE= -4.589147 logGD-logG0= -0.101853 tlogG= -0.582842 logG= -0.684695 Density= 3.499032 ETOT(band)= -1.769225 trlgG= -2.463761 logG= -0.684695 TDE= -4.586746 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102582 tlogG= -0.575550 logG= -0.678132 Density= 3.500416 ETOT(band)= -1.763034 trlgG= -2.454536 logG= -0.678132 TDE= -4.585195 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102440 tlogG= -0.577986 logG= -0.680426 Density= 3.500176 ETOT(band)= -1.764892 trlgG= -2.457928 logG= -0.680426 TDE= -4.586100 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101644 tlogG= -0.585437 logG= -0.687081 Density= 3.498588 ETOT(band)= -1.771348 trlgG= -2.467136 logG= -0.687081 TDE= -4.587380 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101457 tlogG= -0.588139 logG= -0.689596 Density= 3.497850 ETOT(band)= -1.773815 trlgG= -2.473055 logG= -0.689596 TDE= -4.590191 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101430 tlogG= -0.585881 logG= -0.687311 Density= 3.497847 ETOT(band)= -1.772383 trlgG= -2.468358 logG= -0.687311 TDE= -4.587777 logGD-logG0= -0.101585 tlogG= -0.587104 logG= -0.688689 Density= 3.498247 ETOT(band)= -1.772727 trlgG= -2.471116 logG= -0.688689 TDE= -4.589477 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.101296 tlogG= -0.590411 logG= -0.691707 Density= 3.497357 ETOT(band)= -1.775784 trlgG= -2.476854 logG= -0.691707 TDE= -4.591484 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.45714160985 eV TrLogG= -1610.74695440084 eV Ratio to renormalize= 1.000399627260 rho-rho_expected=-0.067110560443 nargs= 1 argi=dmft2.def 19) Finished k-point number 20 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 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= 104 13) Finished k-point number 14 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 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 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 7) Finished k-point number 8 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 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 44) Finished k-point number 45 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834689220131052 0.831815083172048 0.835106136212550 0.831727780881750 0.835273828498296 0.831649649425057 0.834940060750764 0.831704872332177 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101141 tlogG= -0.592781 logG= -0.693922 Density= 3.497038 ETOT(band)= -1.777708 trlgG= -2.480875 logG= -0.693922 TDE= -4.593034 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101417 tlogG= -0.587895 logG= -0.689312 Density= 3.498002 ETOT(band)= -1.773549 trlgG= -2.470941 logG= -0.689312 TDE= -4.588484 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101679 tlogG= -0.583230 logG= -0.684909 Density= 3.498442 ETOT(band)= -1.770080 trlgG= -2.464591 logG= -0.684909 TDE= -4.586889 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101432 tlogG= -0.585882 logG= -0.687314 Density= 3.497852 ETOT(band)= -1.772397 trlgG= -2.468376 logG= -0.687314 TDE= -4.587795 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=143 logGD-logG0= -0.101937 tlogG= -0.581559 logG= -0.683495 Density= 3.499058 ETOT(band)= -1.768363 trlgG= -2.462797 logG= -0.683495 TDE= -4.587003 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101449 tlogG= -0.589801 logG= -0.691250 Density= 3.497675 ETOT(band)= -1.775064 trlgG= -2.476434 logG= -0.691250 TDE= -4.591775 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101366 tlogG= -0.586179 logG= -0.687546 Density= 3.497803 ETOT(band)= -1.772680 trlgG= -2.467333 logG= -0.687546 TDE= -4.586482 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101722 tlogG= -0.584824 logG= -0.686546 Density= 3.498600 ETOT(band)= -1.770920 trlgG= -2.467783 logG= -0.686546 TDE= -4.588571 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101508 tlogG= -0.585530 logG= -0.687038 Density= 3.497972 ETOT(band)= -1.772023 trlgG= -2.468616 logG= -0.687038 TDE= -4.588407 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101645 tlogG= -0.585438 logG= -0.687083 Density= 3.498593 ETOT(band)= -1.771362 trlgG= -2.467154 logG= -0.687083 TDE= -4.587399 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102176 tlogG= -0.578836 logG= -0.681012 Density= 3.499518 ETOT(band)= -1.766100 trlgG= -2.459181 logG= -0.681012 TDE= -4.586239 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102086 tlogG= -0.580966 logG= -0.683052 Density= 3.499365 ETOT(band)= -1.767655 trlgG= -2.462297 logG= -0.683052 TDE= -4.587192 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101226 tlogG= -0.590825 logG= -0.692051 Density= 3.497354 ETOT(band)= -1.776094 trlgG= -2.476941 logG= -0.692051 TDE= -4.591224 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101459 tlogG= -0.587372 logG= -0.688831 Density= 3.497774 ETOT(band)= -1.773399 trlgG= -2.471976 logG= -0.688831 TDE= -4.589816 logGD-logG0= -0.101340 tlogG= -0.588677 logG= -0.690018 Density= 3.497640 ETOT(band)= -1.774434 trlgG= -2.473053 logG= -0.690018 TDE= -4.589599 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101485 tlogG= -0.591412 logG= -0.692897 Density= 3.497729 ETOT(band)= -1.776058 trlgG= -2.479561 logG= -0.692897 TDE= -4.593299 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101627 tlogG= -0.585312 logG= -0.686940 Density= 3.498435 ETOT(band)= -1.771451 trlgG= -2.467619 logG= -0.686940 TDE= -4.587881 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101297 tlogG= -0.590412 logG= -0.691709 Density= 3.497362 ETOT(band)= -1.775798 trlgG= -2.476870 logG= -0.691709 TDE= -4.591502 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101158 tlogG= -0.590975 logG= -0.692133 Density= 3.497128 ETOT(band)= -1.776440 trlgG= -2.477208 logG= -0.692133 TDE= -4.591228 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101596 tlogG= -0.587564 logG= -0.689160 Density= 3.498139 ETOT(band)= -1.773150 trlgG= -2.472773 logG= -0.689160 TDE= -4.590576 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101846 tlogG= -0.584314 logG= -0.686159 Density= 3.498854 ETOT(band)= -1.770329 trlgG= -2.467649 logG= -0.686159 TDE= -4.589027 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101892 tlogG= -0.582259 logG= -0.684151 Density= 3.498861 ETOT(band)= -1.768961 trlgG= -2.464534 logG= -0.684151 TDE= -4.587927 logGD-logG0= -0.101356 tlogG= -0.590282 logG= -0.691639 Density= 3.497572 ETOT(band)= -1.775487 trlgG= -2.476535 logG= -0.691639 TDE= -4.591405 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102242 tlogG= -0.580318 logG= -0.682560 Density= 3.499730 ETOT(band)= -1.766856 trlgG= -2.461864 logG= -0.682560 TDE= -4.587545 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101628 tlogG= -0.585027 logG= -0.686655 Density= 3.498275 ETOT(band)= -1.771377 trlgG= -2.468292 logG= -0.686655 TDE= -4.588710 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101950 tlogG= -0.582409 logG= -0.684359 Density= 3.499194 ETOT(band)= -1.768775 trlgG= -2.463828 logG= -0.684359 TDE= -4.587279 logGD-logG0= -0.102442 tlogG= -0.577987 logG= -0.680429 Density= 3.500181 ETOT(band)= -1.764906 trlgG= -2.457944 logG= -0.680429 TDE= -4.586118 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101777 tlogG= -0.582764 logG= -0.684541 Density= 3.498620 ETOT(band)= -1.769559 trlgG= -2.464671 logG= -0.684541 TDE= -4.587479 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102534 tlogG= -0.577433 logG= -0.679967 Density= 3.500339 ETOT(band)= -1.764343 trlgG= -2.457572 logG= -0.679967 TDE= -4.586334 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101502 tlogG= -0.587524 logG= -0.689027 Density= 3.498102 ETOT(band)= -1.773188 trlgG= -2.471178 logG= -0.689027 TDE= -4.589085 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101855 tlogG= -0.582843 logG= -0.684698 Density= 3.499037 ETOT(band)= -1.769239 trlgG= -2.463779 logG= -0.684698 TDE= -4.586765 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102352 tlogG= -0.578166 logG= -0.680518 Density= 3.499902 ETOT(band)= -1.765271 trlgG= -2.458341 logG= -0.680518 TDE= -4.586202 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101256 tlogG= -0.588250 logG= -0.689506 Density= 3.497443 ETOT(band)= -1.774369 trlgG= -2.471587 logG= -0.689506 TDE= -4.588486 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102263 tlogG= -0.578646 logG= -0.680909 Density= 3.499791 ETOT(band)= -1.765720 trlgG= -2.458788 logG= -0.680909 TDE= -4.586168 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101587 tlogG= -0.587105 logG= -0.688692 Density= 3.498251 ETOT(band)= -1.772741 trlgG= -2.471133 logG= -0.688692 TDE= -4.589495 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101297 tlogG= -0.592115 logG= -0.693412 Density= 3.497330 ETOT(band)= -1.776925 trlgG= -2.480163 logG= -0.693412 TDE= -4.593066 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101527 tlogG= -0.585533 logG= -0.687060 Density= 3.498089 ETOT(band)= -1.771944 trlgG= -2.468053 logG= -0.687060 TDE= -4.587916 logGD-logG0= -0.101459 tlogG= -0.588139 logG= -0.689598 Density= 3.497854 ETOT(band)= -1.773829 trlgG= -2.473072 logG= -0.689598 TDE= -4.590210 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101709 tlogG= -0.585146 logG= -0.686855 Density= 3.498644 ETOT(band)= -1.771095 trlgG= -2.467489 logG= -0.686855 TDE= -4.588004 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101760 tlogG= -0.584491 logG= -0.686251 Density= 3.498548 ETOT(band)= -1.770742 trlgG= -2.468124 logG= -0.686251 TDE= -4.589165 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101600 tlogG= -0.585682 logG= -0.687282 Density= 3.498597 ETOT(band)= -1.771544 trlgG= -2.466405 logG= -0.687282 TDE= -4.586454 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.103054 tlogG= -0.573821 logG= -0.676875 Density= 3.501549 ETOT(band)= -1.760812 trlgG= -2.452149 logG= -0.676875 TDE= -4.584974 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.102627 tlogG= -0.577262 logG= -0.679890 Density= 3.500623 ETOT(band)= -1.763993 trlgG= -2.457213 logG= -0.679890 TDE= -4.586280 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101355 tlogG= -0.587839 logG= -0.689194 Density= 3.497584 ETOT(band)= -1.773931 trlgG= -2.472037 logG= -0.689194 TDE= -4.589362 logGD-logG0= -0.102058 tlogG= -0.581942 logG= -0.684000 Density= 3.499416 ETOT(band)= -1.768241 trlgG= -2.463714 logG= -0.684000 TDE= -4.587702 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101500 tlogG= -0.589693 logG= -0.691193 Density= 3.497868 ETOT(band)= -1.774791 trlgG= -2.476086 logG= -0.691193 TDE= -4.591640 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102583 tlogG= -0.575551 logG= -0.678135 Density= 3.500421 ETOT(band)= -1.763048 trlgG= -2.454553 logG= -0.678135 TDE= -4.585214 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102815 tlogG= -0.574706 logG= -0.677522 Density= 3.500958 ETOT(band)= -1.761968 trlgG= -2.453266 logG= -0.677522 TDE= -4.584971 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1156.46623735449 eV TrLogG= -1610.76046946906 eV Ratio to renormalize= 1.000398318928 rho-rho_expected=-0.066890936011 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834694117682097 0.831817541233625 0.835110873523589 0.831730315636487 0.835278642130587 0.831652132300842 0.834944917871424 0.831707330046311 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101369 tlogG= -0.586188 logG= -0.687557 Density= 3.497808 ETOT(band)= -1.772687 trlgG= -2.467353 logG= -0.687557 TDE= -4.586494 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101598 tlogG= -0.587573 logG= -0.689171 Density= 3.498144 ETOT(band)= -1.773157 trlgG= -2.472791 logG= -0.689171 TDE= -4.590588 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101724 tlogG= -0.584833 logG= -0.686557 Density= 3.498605 ETOT(band)= -1.770927 trlgG= -2.467802 logG= -0.686557 TDE= -4.588582 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101342 tlogG= -0.588686 logG= -0.690029 Density= 3.497645 ETOT(band)= -1.774441 trlgG= -2.473072 logG= -0.690029 TDE= -4.589611 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102088 tlogG= -0.580975 logG= -0.683063 Density= 3.499370 ETOT(band)= -1.767663 trlgG= -2.462316 logG= -0.683063 TDE= -4.587204 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101143 tlogG= -0.592789 logG= -0.693933 Density= 3.497043 ETOT(band)= -1.777714 trlgG= -2.480893 logG= -0.693933 TDE= -4.593045 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101451 tlogG= -0.589810 logG= -0.691261 Density= 3.497680 ETOT(band)= -1.775071 trlgG= -2.476451 logG= -0.691261 TDE= -4.591786 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101419 tlogG= -0.587904 logG= -0.689323 Density= 3.498007 ETOT(band)= -1.773556 trlgG= -2.470960 logG= -0.689323 TDE= -4.588495 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101939 tlogG= -0.581568 logG= -0.683506 Density= 3.499063 ETOT(band)= -1.768370 trlgG= -2.462816 logG= -0.683506 TDE= -4.587015 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101228 tlogG= -0.590834 logG= -0.692062 Density= 3.497359 ETOT(band)= -1.776101 trlgG= -2.476960 logG= -0.692062 TDE= -4.591236 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=140 logGD-logG0= -0.101952 tlogG= -0.582418 logG= -0.684370 Density= 3.499199 ETOT(band)= -1.768782 trlgG= -2.463847 logG= -0.684370 TDE= -4.587291 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101629 tlogG= -0.585321 logG= -0.686951 Density= 3.498440 ETOT(band)= -1.771459 trlgG= -2.467638 logG= -0.686951 TDE= -4.587893 logGD-logG0= -0.101504 tlogG= -0.587533 logG= -0.689038 Density= 3.498106 ETOT(band)= -1.773196 trlgG= -2.471197 logG= -0.689038 TDE= -4.589097 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102178 tlogG= -0.578845 logG= -0.681023 Density= 3.499522 ETOT(band)= -1.766108 trlgG= -2.459200 logG= -0.681023 TDE= -4.586251 logGD-logG0= -0.101461 tlogG= -0.587381 logG= -0.688842 Density= 3.497779 ETOT(band)= -1.773407 trlgG= -2.471994 logG= -0.688842 TDE= -4.589827 logGD-logG0= -0.101487 tlogG= -0.591421 logG= -0.692908 Density= 3.497734 ETOT(band)= -1.776065 trlgG= -2.479578 logG= -0.692908 TDE= -4.593310 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102354 tlogG= -0.578175 logG= -0.680529 Density= 3.499907 ETOT(band)= -1.765279 trlgG= -2.458360 logG= -0.680529 TDE= -4.586214 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101589 tlogG= -0.587113 logG= -0.688703 Density= 3.498256 ETOT(band)= -1.772748 trlgG= -2.471152 logG= -0.688703 TDE= -4.589507 logGD-logG0= -0.101299 tlogG= -0.590421 logG= -0.691720 Density= 3.497367 ETOT(band)= -1.775805 trlgG= -2.476888 logG= -0.691720 TDE= -4.591513 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101779 tlogG= -0.582773 logG= -0.684552 Density= 3.498625 ETOT(band)= -1.769566 trlgG= -2.464690 logG= -0.684552 TDE= -4.587491 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101434 tlogG= -0.585890 logG= -0.687324 Density= 3.497857 ETOT(band)= -1.772405 trlgG= -2.468395 logG= -0.687324 TDE= -4.587808 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101510 tlogG= -0.585539 logG= -0.687049 Density= 3.497977 ETOT(band)= -1.772030 trlgG= -2.468634 logG= -0.687049 TDE= -4.588419 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101681 tlogG= -0.583239 logG= -0.684920 Density= 3.498447 ETOT(band)= -1.770088 trlgG= -2.464610 logG= -0.684920 TDE= -4.586901 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101530 tlogG= -0.585542 logG= -0.687072 Density= 3.498094 ETOT(band)= -1.771951 trlgG= -2.468072 logG= -0.687072 TDE= -4.587929 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101358 tlogG= -0.590291 logG= -0.691650 Density= 3.497577 ETOT(band)= -1.775494 trlgG= -2.476553 logG= -0.691650 TDE= -4.591417 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101160 tlogG= -0.590983 logG= -0.692144 Density= 3.497133 ETOT(band)= -1.776447 trlgG= -2.477227 logG= -0.692144 TDE= -4.591240 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101894 tlogG= -0.582268 logG= -0.684162 Density= 3.498866 ETOT(band)= -1.768968 trlgG= -2.464553 logG= -0.684162 TDE= -4.587939 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101357 tlogG= -0.587848 logG= -0.689205 Density= 3.497589 ETOT(band)= -1.773938 trlgG= -2.472056 logG= -0.689205 TDE= -4.589374 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102629 tlogG= -0.577271 logG= -0.679901 Density= 3.500628 ETOT(band)= -1.764001 trlgG= -2.457231 logG= -0.679901 TDE= -4.586292 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101711 tlogG= -0.585155 logG= -0.686866 Density= 3.498649 ETOT(band)= -1.771103 trlgG= -2.467508 logG= -0.686866 TDE= -4.588016 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101602 tlogG= -0.585691 logG= -0.687293 Density= 3.498602 ETOT(band)= -1.771552 trlgG= -2.466424 logG= -0.687293 TDE= -4.586467 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101461 tlogG= -0.588148 logG= -0.689609 Density= 3.497859 ETOT(band)= -1.773836 trlgG= -2.473091 logG= -0.689609 TDE= -4.590222 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101299 tlogG= -0.592124 logG= -0.693423 Density= 3.497335 ETOT(band)= -1.776933 trlgG= -2.480181 logG= -0.693423 TDE= -4.593077 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101857 tlogG= -0.582852 logG= -0.684709 Density= 3.499042 ETOT(band)= -1.769247 trlgG= -2.463798 logG= -0.684709 TDE= -4.586778 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101647 tlogG= -0.585447 logG= -0.687094 Density= 3.498598 ETOT(band)= -1.771370 trlgG= -2.467173 logG= -0.687094 TDE= -4.587411 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102244 tlogG= -0.580327 logG= -0.682571 Density= 3.499735 ETOT(band)= -1.766863 trlgG= -2.461883 logG= -0.682571 TDE= -4.587557 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101848 tlogG= -0.584323 logG= -0.686170 Density= 3.498859 ETOT(band)= -1.770336 trlgG= -2.467668 logG= -0.686170 TDE= -4.589039 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.103056 tlogG= -0.573830 logG= -0.676886 Density= 3.501554 ETOT(band)= -1.760820 trlgG= -2.452168 logG= -0.676886 TDE= -4.584986 logGD-logG0= -0.101258 tlogG= -0.588259 logG= -0.689517 Density= 3.497448 ETOT(band)= -1.774376 trlgG= -2.471606 logG= -0.689517 TDE= -4.588498 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102585 tlogG= -0.575560 logG= -0.678146 Density= 3.500426 ETOT(band)= -1.763056 trlgG= -2.454573 logG= -0.678146 TDE= -4.585226 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.102444 tlogG= -0.577996 logG= -0.680440 Density= 3.500186 ETOT(band)= -1.764914 trlgG= -2.457963 logG= -0.680440 TDE= -4.586130 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101502 tlogG= -0.589702 logG= -0.691204 Density= 3.497873 ETOT(band)= -1.774799 trlgG= -2.476104 logG= -0.691204 TDE= -4.591651 logGD-logG0= -0.102536 tlogG= -0.577442 logG= -0.679978 Density= 3.500344 ETOT(band)= -1.764351 trlgG= -2.457591 logG= -0.679978 TDE= -4.586346 logGD-logG0= -0.102060 tlogG= -0.581951 logG= -0.684011 Density= 3.499421 ETOT(band)= -1.768248 trlgG= -2.463733 logG= -0.684011 TDE= -4.587714 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102265 tlogG= -0.578655 logG= -0.680920 Density= 3.499796 ETOT(band)= -1.765728 trlgG= -2.458807 logG= -0.680920 TDE= -4.586180 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101762 tlogG= -0.584500 logG= -0.686262 Density= 3.498553 ETOT(band)= -1.770749 trlgG= -2.468143 logG= -0.686262 TDE= -4.589177 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101630 tlogG= -0.585036 logG= -0.686666 Density= 3.498280 ETOT(band)= -1.771384 trlgG= -2.468311 logG= -0.686666 TDE= -4.588722 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102817 tlogG= -0.574715 logG= -0.677533 Density= 3.500963 ETOT(band)= -1.761975 trlgG= -2.453285 logG= -0.677533 TDE= -4.584982 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1156.47110492964 eV TrLogG= -1610.77539800658 eV Ratio to renormalize= 1.000396901470 rho-rho_expected=-0.066652992231 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 20) Finished k-point number 21 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 14) Finished k-point number 15 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834681086791293 0.831806020042895 0.835098072197269 0.831718701146845 0.835265679194935 0.831640553925377 0.834931947148411 0.831695733383950 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101675 tlogG= -0.583260 logG= -0.684936 Density= 3.498433 ETOT(band)= -1.770064 trlgG= -2.464599 logG= -0.684936 TDE= -4.586863 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101499 tlogG= -0.587555 logG= -0.689054 Density= 3.498093 ETOT(band)= -1.773172 trlgG= -2.471187 logG= -0.689054 TDE= -4.589060 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101719 tlogG= -0.584855 logG= -0.686573 Density= 3.498591 ETOT(band)= -1.770904 trlgG= -2.467792 logG= -0.686573 TDE= -4.588546 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101524 tlogG= -0.585563 logG= -0.687088 Density= 3.498080 ETOT(band)= -1.771928 trlgG= -2.468062 logG= -0.687088 TDE= -4.587891 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101456 tlogG= -0.587402 logG= -0.688858 Density= 3.497766 ETOT(band)= -1.773383 trlgG= -2.471985 logG= -0.688858 TDE= -4.589791 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101446 tlogG= -0.589832 logG= -0.691277 Density= 3.497667 ETOT(band)= -1.775048 trlgG= -2.476445 logG= -0.691277 TDE= -4.591752 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102239 tlogG= -0.580349 logG= -0.682587 Density= 3.499722 ETOT(band)= -1.766839 trlgG= -2.461874 logG= -0.682587 TDE= -4.587521 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102580 tlogG= -0.575582 logG= -0.678162 logGD-logG0= -0.101642 tlogG= -0.585468 logG= -0.687110 Density= 3.500412 ETOT(band)= -1.763032 trlgG= -2.454562 logG= -0.678162 TDE= -4.585188 Density= 3.498584 ETOT(band)= -1.771347 trlgG= -2.467162 logG= -0.687110 TDE= -4.587373 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101933 tlogG= -0.581589 logG= -0.683522 Density= 3.499049 ETOT(band)= -1.768346 trlgG= -2.462805 logG= -0.683522 TDE= -4.586977 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102173 tlogG= -0.578866 logG= -0.681039 Density= 3.499509 ETOT(band)= -1.766084 trlgG= -2.459189 logG= -0.681039 TDE= -4.586213 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101337 tlogG= -0.588708 logG= -0.690045 Density= 3.497631 ETOT(band)= -1.774417 trlgG= -2.473063 logG= -0.690045 TDE= -4.589574 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101294 tlogG= -0.592146 logG= -0.693440 Density= 3.497321 ETOT(band)= -1.776909 trlgG= -2.480174 logG= -0.693440 TDE= -4.593042 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101482 tlogG= -0.591443 logG= -0.692925 Density= 3.497721 ETOT(band)= -1.776042 trlgG= -2.479573 logG= -0.692925 TDE= -4.593277 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102082 tlogG= -0.580997 logG= -0.683079 Density= 3.499356 ETOT(band)= -1.767639 trlgG= -2.462306 logG= -0.683079 TDE= -4.587168 logGD-logG0= -0.101223 tlogG= -0.590855 logG= -0.692078 Density= 3.497345 ETOT(band)= -1.776078 trlgG= -2.476951 logG= -0.692078 TDE= -4.591200 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101138 tlogG= -0.592811 logG= -0.693949 Density= 3.497030 ETOT(band)= -1.777691 trlgG= -2.480885 logG= -0.693949 TDE= -4.593010 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102439 tlogG= -0.578017 logG= -0.680456 Density= 3.500172 ETOT(band)= -1.764890 trlgG= -2.457955 logG= -0.680456 TDE= -4.586094 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101294 tlogG= -0.590442 logG= -0.691736 Density= 3.497353 ETOT(band)= -1.775781 trlgG= -2.476881 logG= -0.691736 TDE= -4.591478 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.103051 tlogG= -0.573851 logG= -0.676902 Density= 3.501540 ETOT(band)= -1.760796 trlgG= -2.452160 logG= -0.676902 TDE= -4.584951 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.101505 tlogG= -0.585560 logG= -0.687065 Density= 3.497964 ETOT(band)= -1.772006 trlgG= -2.468624 logG= -0.687065 TDE= -4.588382 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101363 tlogG= -0.586209 logG= -0.687573 Density= 3.497794 ETOT(band)= -1.772663 trlgG= -2.467342 logG= -0.687573 TDE= -4.586456 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101757 tlogG= -0.584521 logG= -0.686278 Density= 3.498539 ETOT(band)= -1.770725 trlgG= -2.468134 logG= -0.686278 TDE= -4.589141 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101456 tlogG= -0.588170 logG= -0.689626 Density= 3.497846 ETOT(band)= -1.773813 trlgG= -2.473082 logG= -0.689626 TDE= -4.590185 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101253 tlogG= -0.588280 logG= -0.689533 Density= 3.497434 ETOT(band)= -1.774352 trlgG= -2.471596 logG= -0.689533 TDE= -4.588462 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101414 tlogG= -0.587925 logG= -0.689339 Density= 3.497993 ETOT(band)= -1.773533 trlgG= -2.470951 logG= -0.689339 TDE= -4.588459 logGD-logG0= -0.101592 tlogG= -0.587595 logG= -0.689187 Density= 3.498130 ETOT(band)= -1.773133 trlgG= -2.472783 logG= -0.689187 TDE= -4.590552 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102055 tlogG= -0.581972 logG= -0.684027 Density= 3.499408 ETOT(band)= -1.768225 trlgG= -2.463723 logG= -0.684027 TDE= -4.587678 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101706 tlogG= -0.585176 logG= -0.686882 Density= 3.498636 ETOT(band)= -1.771079 trlgG= -2.467498 logG= -0.686882 TDE= -4.587979 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102348 tlogG= -0.578196 logG= -0.680545 Density= 3.499893 ETOT(band)= -1.765255 trlgG= -2.458351 logG= -0.680545 TDE= -4.586178 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101889 tlogG= -0.582289 logG= -0.684178 Density= 3.498852 ETOT(band)= -1.768945 trlgG= -2.464544 logG= -0.684178 TDE= -4.587902 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102812 tlogG= -0.574737 logG= -0.677549 Density= 3.500949 ETOT(band)= -1.761952 trlgG= -2.453276 logG= -0.677549 TDE= -4.584947 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101352 tlogG= -0.587870 logG= -0.689221 Density= 3.497576 ETOT(band)= -1.773914 trlgG= -2.472046 logG= -0.689221 TDE= -4.589337 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101625 tlogG= -0.585057 logG= -0.686682 Density= 3.498266 ETOT(band)= -1.771361 trlgG= -2.468301 logG= -0.686682 TDE= -4.588685 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101947 tlogG= -0.582439 logG= -0.684386 Density= 3.499186 ETOT(band)= -1.768759 trlgG= -2.463837 logG= -0.684386 TDE= -4.587255 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101155 tlogG= -0.591005 logG= -0.692160 Density= 3.497120 ETOT(band)= -1.776424 trlgG= -2.477218 logG= -0.692160 TDE= -4.591204 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101774 tlogG= -0.582795 logG= -0.684568 Density= 3.498611 ETOT(band)= -1.769543 trlgG= -2.464680 logG= -0.684568 TDE= -4.587455 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101624 tlogG= -0.585343 logG= -0.686967 Density= 3.498426 ETOT(band)= -1.771435 trlgG= -2.467628 logG= -0.686967 TDE= -4.587856 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101597 tlogG= -0.585712 logG= -0.687309 Density= 3.498588 ETOT(band)= -1.771527 trlgG= -2.466413 logG= -0.687309 TDE= -4.586429 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101353 tlogG= -0.590313 logG= -0.691666 Density= 3.497563 ETOT(band)= -1.775471 trlgG= -2.476546 logG= -0.691666 TDE= -4.591382 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101852 tlogG= -0.582873 logG= -0.684725 Density= 3.499028 ETOT(band)= -1.769223 trlgG= -2.463787 logG= -0.684725 TDE= -4.586740 logGD-logG0= -0.102260 tlogG= -0.578676 logG= -0.680936 Density= 3.499782 ETOT(band)= -1.765704 trlgG= -2.458796 logG= -0.680936 TDE= -4.586142 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102531 tlogG= -0.577463 logG= -0.679994 Density= 3.500330 ETOT(band)= -1.764327 trlgG= -2.457582 logG= -0.679994 TDE= -4.586310 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101497 tlogG= -0.589724 logG= -0.691220 Density= 3.497859 ETOT(band)= -1.774775 trlgG= -2.476098 logG= -0.691220 TDE= -4.591617 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101429 tlogG= -0.585912 logG= -0.687340 Density= 3.497843 ETOT(band)= -1.772381 trlgG= -2.468384 logG= -0.687340 TDE= -4.587771 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.102624 tlogG= -0.577293 logG= -0.679917 Density= 3.500615 ETOT(band)= -1.763977 trlgG= -2.457223 logG= -0.679917 TDE= -4.586257 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101842 tlogG= -0.584344 logG= -0.686187 Density= 3.498846 ETOT(band)= -1.770313 trlgG= -2.467659 logG= -0.686187 TDE= -4.589003 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101584 tlogG= -0.587135 logG= -0.688719 Density= 3.498243 ETOT(band)= -1.772724 trlgG= -2.471143 logG= -0.688719 TDE= -4.589471 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.45563169673 eV TrLogG= -1610.76226719663 eV Ratio to renormalize= 1.000400765024 rho-rho_expected=-0.067301551898 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 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= 105 31) Finished k-point number 32 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834679654440228 0.831805083963980 0.835096687725869 0.831717743731587 0.835264261427196 0.831639612316748 0.834930525328348 0.831694793614922 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101445 tlogG= -0.589831 logG= -0.691276 Density= 3.497665 ETOT(band)= -1.775044 trlgG= -2.476441 logG= -0.691276 TDE= -4.591748 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101363 tlogG= -0.586209 logG= -0.687572 Density= 3.497793 ETOT(band)= -1.772660 trlgG= -2.467337 logG= -0.687572 TDE= -4.586452 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101504 tlogG= -0.585560 logG= -0.687064 Density= 3.497962 ETOT(band)= -1.772003 trlgG= -2.468620 logG= -0.687064 TDE= -4.588377 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102811 tlogG= -0.574737 logG= -0.677548 Density= 3.500948 ETOT(band)= -1.761948 trlgG= -2.453272 logG= -0.677548 TDE= -4.584942 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101624 tlogG= -0.585342 logG= -0.686966 Density= 3.498425 ETOT(band)= -1.771432 trlgG= -2.467623 logG= -0.686966 TDE= -4.587851 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101413 tlogG= -0.587925 logG= -0.689338 Density= 3.497992 ETOT(band)= -1.773529 trlgG= -2.470946 logG= -0.689338 TDE= -4.588454 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101222 tlogG= -0.590855 logG= -0.692077 Density= 3.497344 ETOT(band)= -1.776074 trlgG= -2.476947 logG= -0.692077 TDE= -4.591195 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=139 logGD-logG0= -0.102172 tlogG= -0.578866 logG= -0.681038 Density= 3.499507 ETOT(band)= -1.766080 trlgG= -2.459185 logG= -0.681038 TDE= -4.586208 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101498 tlogG= -0.587554 logG= -0.689053 Density= 3.498092 ETOT(band)= -1.773169 trlgG= -2.471182 logG= -0.689053 TDE= -4.589055 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101946 tlogG= -0.582439 logG= -0.684385 Density= 3.499184 ETOT(band)= -1.768755 trlgG= -2.463832 logG= -0.684385 TDE= -4.587250 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101137 tlogG= -0.592811 logG= -0.693948 Density= 3.497028 ETOT(band)= -1.777688 trlgG= -2.480880 logG= -0.693948 TDE= -4.593005 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101455 tlogG= -0.587402 logG= -0.688857 Density= 3.497764 ETOT(band)= -1.773379 trlgG= -2.471980 logG= -0.688857 TDE= -4.589786 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101481 tlogG= -0.591443 logG= -0.692924 Density= 3.497719 ETOT(band)= -1.776039 trlgG= -2.479569 logG= -0.692924 TDE= -4.593272 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101596 tlogG= -0.585712 logG= -0.687308 Density= 3.498587 ETOT(band)= -1.771524 trlgG= -2.466408 logG= -0.687308 TDE= -4.586424 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101524 tlogG= -0.585563 logG= -0.687087 Density= 3.498079 ETOT(band)= -1.771924 trlgG= -2.468057 logG= -0.687087 TDE= -4.587886 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102082 tlogG= -0.580996 logG= -0.683078 Density= 3.499355 ETOT(band)= -1.767635 trlgG= -2.462302 logG= -0.683078 TDE= -4.587163 logGD-logG0= -0.101154 tlogG= -0.591005 logG= -0.692159 Density= 3.497118 ETOT(band)= -1.776420 trlgG= -2.477214 logG= -0.692159 TDE= -4.591199 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101718 tlogG= -0.584854 logG= -0.686572 Density= 3.498590 ETOT(band)= -1.770900 trlgG= -2.467788 logG= -0.686572 TDE= -4.588541 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102530 tlogG= -0.577463 logG= -0.679993 Density= 3.500329 ETOT(band)= -1.764324 trlgG= -2.457578 logG= -0.679993 TDE= -4.586306 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101624 tlogG= -0.585057 logG= -0.686681 Density= 3.498265 ETOT(band)= -1.771357 trlgG= -2.468297 logG= -0.686681 TDE= -4.588680 logGD-logG0= -0.101592 tlogG= -0.587595 logG= -0.689186 Density= 3.498129 ETOT(band)= -1.773130 trlgG= -2.472778 logG= -0.689186 TDE= -4.590547 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102238 tlogG= -0.580348 logG= -0.682586 Density= 3.499720 ETOT(band)= -1.766836 trlgG= -2.461869 logG= -0.682586 TDE= -4.587516 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101293 tlogG= -0.592146 logG= -0.693439 Density= 3.497320 ETOT(band)= -1.776906 trlgG= -2.480170 logG= -0.693439 TDE= -4.593038 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101675 tlogG= -0.583260 logG= -0.684935 Density= 3.498432 ETOT(band)= -1.770060 trlgG= -2.464594 logG= -0.684935 TDE= -4.586858 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102623 tlogG= -0.577292 logG= -0.679916 Density= 3.500613 ETOT(band)= -1.763974 trlgG= -2.457219 logG= -0.679916 TDE= -4.586252 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101455 tlogG= -0.588169 logG= -0.689625 Density= 3.497844 ETOT(band)= -1.773809 trlgG= -2.473077 logG= -0.689625 TDE= -4.590180 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102259 tlogG= -0.578676 logG= -0.680935 Density= 3.499781 ETOT(band)= -1.765700 trlgG= -2.458792 logG= -0.680935 TDE= -4.586138 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101336 tlogG= -0.588708 logG= -0.690044 Density= 3.497630 ETOT(band)= -1.774414 trlgG= -2.473058 logG= -0.690044 TDE= -4.589569 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101252 tlogG= -0.588280 logG= -0.689532 Density= 3.497433 ETOT(band)= -1.774349 trlgG= -2.471592 logG= -0.689532 TDE= -4.588457 logGD-logG0= -0.101583 tlogG= -0.587135 logG= -0.688718 Density= 3.498242 ETOT(band)= -1.772721 trlgG= -2.471138 logG= -0.688718 TDE= -4.589466 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101933 tlogG= -0.581589 logG= -0.683521 Density= 3.499048 ETOT(band)= -1.768343 trlgG= -2.462800 logG= -0.683521 TDE= -4.586972 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101842 tlogG= -0.584344 logG= -0.686186 Density= 3.498844 ETOT(band)= -1.770309 trlgG= -2.467654 logG= -0.686186 TDE= -4.588998 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101496 tlogG= -0.589723 logG= -0.691219 Density= 3.497858 ETOT(band)= -1.774772 trlgG= -2.476093 logG= -0.691219 TDE= -4.591612 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102579 tlogG= -0.575581 logG= -0.678161 Density= 3.500411 ETOT(band)= -1.763029 trlgG= -2.454557 logG= -0.678161 TDE= -4.585183 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101705 tlogG= -0.585176 logG= -0.686881 Density= 3.498634 ETOT(band)= -1.771075 trlgG= -2.467493 logG= -0.686881 TDE= -4.587974 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101351 tlogG= -0.587869 logG= -0.689220 Density= 3.497575 ETOT(band)= -1.773911 trlgG= -2.472042 logG= -0.689220 TDE= -4.589332 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102348 tlogG= -0.578196 logG= -0.680544 Density= 3.499892 ETOT(band)= -1.765251 trlgG= -2.458347 logG= -0.680544 TDE= -4.586174 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101888 tlogG= -0.582289 logG= -0.684177 Density= 3.498851 ETOT(band)= -1.768941 trlgG= -2.464539 logG= -0.684177 TDE= -4.587897 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102054 tlogG= -0.581972 logG= -0.684026 Density= 3.499406 ETOT(band)= -1.768221 trlgG= -2.463719 logG= -0.684026 TDE= -4.587673 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101428 tlogG= -0.585911 logG= -0.687339 Density= 3.497842 ETOT(band)= -1.772377 trlgG= -2.468380 logG= -0.687339 TDE= -4.587766 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101851 tlogG= -0.582872 logG= -0.684724 Density= 3.499027 ETOT(band)= -1.769219 trlgG= -2.463782 logG= -0.684724 TDE= -4.586735 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101353 tlogG= -0.590313 logG= -0.691665 Density= 3.497562 ETOT(band)= -1.775467 trlgG= -2.476541 logG= -0.691665 TDE= -4.591377 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101773 tlogG= -0.582794 logG= -0.684567 Density= 3.498610 ETOT(band)= -1.769539 trlgG= -2.464675 logG= -0.684567 TDE= -4.587450 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101294 tlogG= -0.590442 logG= -0.691736 Density= 3.497352 ETOT(band)= -1.775778 trlgG= -2.476877 logG= -0.691736 TDE= -4.591473 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.103050 tlogG= -0.573851 logG= -0.676901 Density= 3.501538 ETOT(band)= -1.760793 trlgG= -2.452155 logG= -0.676901 TDE= -4.584946 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.101641 tlogG= -0.585468 logG= -0.687109 Density= 3.498583 ETOT(band)= -1.771343 trlgG= -2.467158 logG= -0.687109 TDE= -4.587368 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102438 tlogG= -0.578017 logG= -0.680455 Density= 3.500171 ETOT(band)= -1.764887 trlgG= -2.457950 logG= -0.680455 TDE= -4.586090 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101756 tlogG= -0.584521 logG= -0.686277 Density= 3.498538 ETOT(band)= -1.770722 trlgG= -2.468129 logG= -0.686277 TDE= -4.589136 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.45335633832 eV TrLogG= -1610.75847764311 eV Ratio to renormalize= 1.000401176514 rho-rho_expected=-0.067370626914 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 37) Finished k-point number 38 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= 105 27) Finished k-point number 28 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 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= 105 9) Finished k-point number 10 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834681877785542 0.831806555273237 0.835098841332205 0.831719252619158 0.835266458879101 0.831641100071896 0.834932745417993 0.831696274859947 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101406 tlogG= -0.591440 logG= -0.692846 Density= 3.497654 ETOT(band)= -1.776088 trlgG= -2.479540 logG= -0.692846 TDE= -4.593269 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101643 tlogG= -0.584852 logG= -0.686495 Density= 3.498522 ETOT(band)= -1.770951 trlgG= -2.467761 logG= -0.686495 TDE= -4.588538 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101080 tlogG= -0.591002 logG= -0.692082 Density= 3.497052 ETOT(band)= -1.776470 trlgG= -2.477186 logG= -0.692082 TDE= -4.591197 logGD-logG0= -0.101063 tlogG= -0.592808 logG= -0.693871 Density= 3.496963 ETOT(band)= -1.777738 trlgG= -2.480853 logG= -0.693871 TDE= -4.593002 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101262 tlogG= -0.588705 logG= -0.689967 Density= 3.497564 ETOT(band)= -1.774464 trlgG= -2.473031 logG= -0.689967 TDE= -4.589567 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102548 tlogG= -0.577290 logG= -0.679838 Density= 3.500544 ETOT(band)= -1.764025 trlgG= -2.457193 logG= -0.679838 TDE= -4.586249 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101424 tlogG= -0.587552 logG= -0.688976 Density= 3.498025 ETOT(band)= -1.773220 trlgG= -2.471156 logG= -0.688976 TDE= -4.589053 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101148 tlogG= -0.590852 logG= -0.692000 Density= 3.497278 ETOT(band)= -1.776125 trlgG= -2.476920 logG= -0.692000 TDE= -4.591193 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101288 tlogG= -0.586206 logG= -0.687495 Density= 3.497726 ETOT(band)= -1.772711 trlgG= -2.467311 logG= -0.687495 TDE= -4.586449 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101449 tlogG= -0.585560 logG= -0.687009 Density= 3.498012 ETOT(band)= -1.771975 trlgG= -2.468031 logG= -0.687009 TDE= -4.587884 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102007 tlogG= -0.580994 logG= -0.683000 Density= 3.499287 ETOT(band)= -1.767686 trlgG= -2.462276 logG= -0.683000 TDE= -4.587161 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102504 tlogG= -0.575579 logG= -0.678082 Density= 3.500342 ETOT(band)= -1.763079 trlgG= -2.454532 logG= -0.678082 TDE= -4.585181 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101338 tlogG= -0.587922 logG= -0.689261 Density= 3.497925 ETOT(band)= -1.773580 trlgG= -2.470920 logG= -0.689261 TDE= -4.588452 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102163 tlogG= -0.580346 logG= -0.682508 Density= 3.499652 ETOT(band)= -1.766886 trlgG= -2.461843 logG= -0.682508 TDE= -4.587513 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102272 tlogG= -0.578193 logG= -0.680466 Density= 3.499824 ETOT(band)= -1.765302 trlgG= -2.458321 logG= -0.680466 TDE= -4.586171 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101776 tlogG= -0.582870 logG= -0.684646 Density= 3.498959 ETOT(band)= -1.769271 trlgG= -2.463757 logG= -0.684646 TDE= -4.586732 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101567 tlogG= -0.585465 logG= -0.687032 Density= 3.498515 ETOT(band)= -1.771394 trlgG= -2.467132 logG= -0.687032 TDE= -4.587366 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102455 tlogG= -0.577460 logG= -0.679915 Density= 3.500260 ETOT(band)= -1.764374 trlgG= -2.457552 logG= -0.679915 TDE= -4.586303 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101381 tlogG= -0.587399 logG= -0.688780 Density= 3.497698 ETOT(band)= -1.773430 trlgG= -2.471953 logG= -0.688780 TDE= -4.589783 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101858 tlogG= -0.581586 logG= -0.683444 Density= 3.498980 ETOT(band)= -1.768394 trlgG= -2.462774 logG= -0.683444 TDE= -4.586970 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102097 tlogG= -0.578863 logG= -0.680960 Density= 3.499440 ETOT(band)= -1.766131 trlgG= -2.459159 logG= -0.680960 TDE= -4.586206 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101681 tlogG= -0.584518 logG= -0.686199 Density= 3.498471 ETOT(band)= -1.770772 trlgG= -2.468102 logG= -0.686199 TDE= -4.589133 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101517 tlogG= -0.587592 logG= -0.689109 Density= 3.498062 ETOT(band)= -1.773180 trlgG= -2.472751 logG= -0.689109 TDE= -4.590544 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101430 tlogG= -0.585557 logG= -0.686987 Density= 3.497896 ETOT(band)= -1.772054 trlgG= -2.468593 logG= -0.686987 TDE= -4.588375 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101871 tlogG= -0.582436 logG= -0.684307 Density= 3.499116 ETOT(band)= -1.768806 trlgG= -2.463807 logG= -0.684307 TDE= -4.587247 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102974 tlogG= -0.573848 logG= -0.676823 Density= 3.501469 ETOT(band)= -1.760843 trlgG= -2.452129 logG= -0.676823 TDE= -4.584943 logGD-logG0= -0.101218 tlogG= -0.592143 logG= -0.693361 Density= 3.497254 ETOT(band)= -1.776955 trlgG= -2.480142 logG= -0.693361 TDE= -4.593035 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101549 tlogG= -0.585340 logG= -0.686888 Density= 3.498358 ETOT(band)= -1.771483 trlgG= -2.467597 logG= -0.686888 TDE= -4.587848 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101521 tlogG= -0.585709 logG= -0.687231 Density= 3.498519 ETOT(band)= -1.771576 trlgG= -2.466383 logG= -0.687231 TDE= -4.586421 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101276 tlogG= -0.587867 logG= -0.689143 Density= 3.497508 ETOT(band)= -1.773962 trlgG= -2.472015 logG= -0.689143 TDE= -4.589330 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101813 tlogG= -0.582286 logG= -0.684099 Density= 3.498783 ETOT(band)= -1.768992 trlgG= -2.464513 logG= -0.684099 TDE= -4.587895 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101219 tlogG= -0.590439 logG= -0.691658 Density= 3.497286 ETOT(band)= -1.775828 trlgG= -2.476849 logG= -0.691658 TDE= -4.591470 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102736 tlogG= -0.574734 logG= -0.677470 Density= 3.500879 ETOT(band)= -1.761999 trlgG= -2.453246 logG= -0.677470 TDE= -4.584939 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101370 tlogG= -0.589829 logG= -0.691199 Density= 3.497599 ETOT(band)= -1.775094 trlgG= -2.476413 logG= -0.691199 TDE= -4.591745 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101278 tlogG= -0.590310 logG= -0.691588 Density= 3.497496 ETOT(band)= -1.775517 trlgG= -2.476514 logG= -0.691588 TDE= -4.591374 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101421 tlogG= -0.589721 logG= -0.691142 Density= 3.497792 ETOT(band)= -1.774821 trlgG= -2.476066 logG= -0.691142 TDE= -4.591609 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101178 tlogG= -0.588277 logG= -0.689455 Density= 3.497367 ETOT(band)= -1.774400 trlgG= -2.471565 logG= -0.689455 TDE= -4.588454 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101600 tlogG= -0.583257 logG= -0.684857 Density= 3.498365 ETOT(band)= -1.770111 trlgG= -2.464568 logG= -0.684857 TDE= -4.586856 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101550 tlogG= -0.585054 logG= -0.686604 Density= 3.498198 ETOT(band)= -1.771408 trlgG= -2.468270 logG= -0.686604 TDE= -4.588678 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101508 tlogG= -0.587132 logG= -0.688640 Density= 3.498174 ETOT(band)= -1.772772 trlgG= -2.471111 logG= -0.688640 TDE= -4.589463 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102184 tlogG= -0.578673 logG= -0.680857 Density= 3.499712 ETOT(band)= -1.765751 trlgG= -2.458766 logG= -0.680857 TDE= -4.586135 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102363 tlogG= -0.578014 logG= -0.680377 Density= 3.500102 ETOT(band)= -1.764938 trlgG= -2.457924 logG= -0.680377 TDE= -4.586087 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101767 tlogG= -0.584341 logG= -0.686108 Density= 3.498777 ETOT(band)= -1.770360 trlgG= -2.467628 logG= -0.686108 TDE= -4.588996 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101698 tlogG= -0.582791 logG= -0.684490 Density= 3.498542 ETOT(band)= -1.769590 trlgG= -2.464649 logG= -0.684490 TDE= -4.587447 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101630 tlogG= -0.585173 logG= -0.686803 Density= 3.498567 ETOT(band)= -1.771127 trlgG= -2.467467 logG= -0.686803 TDE= -4.587971 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101979 tlogG= -0.581969 logG= -0.683948 Density= 3.499338 ETOT(band)= -1.768272 trlgG= -2.463693 logG= -0.683948 TDE= -4.587671 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101354 tlogG= -0.585909 logG= -0.687262 Density= 3.497775 ETOT(band)= -1.772428 trlgG= -2.468353 logG= -0.687262 TDE= -4.587763 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101381 tlogG= -0.588167 logG= -0.689547 Density= 3.497778 ETOT(band)= -1.773859 trlgG= -2.473050 logG= -0.689547 TDE= -4.590177 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 Sum of eigenvalues= -1156.48638990524 eV TrLogG= -1610.70604719972 eV Ratio to renormalize= 1.000420371489 rho-rho_expected=-0.070592735014 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 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 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 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= 105 26) Finished k-point number 27 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 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= 105 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 33) Finished k-point number 34 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834698566226829 0.831828838454561 0.835115877028521 0.831741404581919 0.835282941624860 0.831663512618195 0.834949484654180 0.831718598504098 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101391 tlogG= -0.587381 logG= -0.688772 Density= 3.497724 ETOT(band)= -1.773436 trlgG= -2.471955 logG= -0.688772 TDE= -4.589813 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.102515 tlogG= -0.575560 logG= -0.678075 Density= 3.500369 ETOT(band)= -1.763086 trlgG= -2.454535 logG= -0.678075 TDE= -4.585213 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101299 tlogG= -0.586189 logG= -0.687488 Density= 3.497752 ETOT(band)= -1.772718 trlgG= -2.467312 logG= -0.687488 TDE= -4.586478 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102108 tlogG= -0.578845 logG= -0.680953 Density= 3.499466 ETOT(band)= -1.766138 trlgG= -2.459163 logG= -0.680953 TDE= -4.586238 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101073 tlogG= -0.592790 logG= -0.693863 Density= 3.496988 ETOT(band)= -1.777744 trlgG= -2.480851 logG= -0.693863 TDE= -4.593029 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101273 tlogG= -0.588687 logG= -0.689959 Density= 3.497589 ETOT(band)= -1.774471 trlgG= -2.473032 logG= -0.689959 TDE= -4.589596 logGD-logG0= -0.101417 tlogG= -0.591421 logG= -0.692838 Density= 3.497680 ETOT(band)= -1.776094 trlgG= -2.479534 logG= -0.692838 TDE= -4.593292 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101460 tlogG= -0.585542 logG= -0.687002 Density= 3.498038 ETOT(band)= -1.771982 trlgG= -2.468034 logG= -0.687002 TDE= -4.587914 logGD-logG0= -0.101709 tlogG= -0.582773 logG= -0.684482 Density= 3.498568 ETOT(band)= -1.769597 trlgG= -2.464651 logG= -0.684482 TDE= -4.587477 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101435 tlogG= -0.587534 logG= -0.688968 Density= 3.498050 ETOT(band)= -1.773227 trlgG= -2.471157 logG= -0.688968 TDE= -4.589081 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101869 tlogG= -0.581568 logG= -0.683436 Density= 3.499006 ETOT(band)= -1.768400 trlgG= -2.462778 logG= -0.683436 TDE= -4.587002 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101349 tlogG= -0.587904 logG= -0.689253 Density= 3.497951 ETOT(band)= -1.773587 trlgG= -2.470919 logG= -0.689253 TDE= -4.588479 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101778 tlogG= -0.584323 logG= -0.686100 Density= 3.498803 ETOT(band)= -1.770366 trlgG= -2.467629 logG= -0.686100 TDE= -4.589025 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102559 tlogG= -0.577271 logG= -0.679830 logGD-logG0= -0.102985 tlogG= -0.573829 logG= -0.676815 Density= 3.500571 ETOT(band)= -1.764031 trlgG= -2.457192 logG= -0.679830 TDE= -4.586278 Density= 3.501496 ETOT(band)= -1.760849 trlgG= -2.452128 logG= -0.676815 TDE= -4.584971 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101654 tlogG= -0.584833 logG= -0.686487 Density= 3.498548 ETOT(band)= -1.770958 trlgG= -2.467763 logG= -0.686487 TDE= -4.588568 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.102018 tlogG= -0.580975 logG= -0.682993 Density= 3.499313 ETOT(band)= -1.767693 trlgG= -2.462277 logG= -0.682993 TDE= -4.587190 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101381 tlogG= -0.589810 logG= -0.691191 Density= 3.497625 ETOT(band)= -1.775100 trlgG= -2.476409 logG= -0.691191 TDE= -4.591769 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101229 tlogG= -0.592124 logG= -0.693353 Density= 3.497280 ETOT(band)= -1.776961 trlgG= -2.480138 logG= -0.693353 TDE= -4.593060 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101440 tlogG= -0.585539 logG= -0.686980 Density= 3.497921 ETOT(band)= -1.772060 trlgG= -2.468595 logG= -0.686980 TDE= -4.588404 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101230 tlogG= -0.590421 logG= -0.691650 Density= 3.497312 ETOT(band)= -1.775834 trlgG= -2.476846 logG= -0.691650 TDE= -4.591496 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102466 tlogG= -0.577441 logG= -0.679907 Density= 3.500286 ETOT(band)= -1.764381 trlgG= -2.457551 logG= -0.679907 TDE= -4.586331 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101189 tlogG= -0.588259 logG= -0.689448 Density= 3.497392 ETOT(band)= -1.774407 trlgG= -2.471565 logG= -0.689448 TDE= -4.588482 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102195 tlogG= -0.578655 logG= -0.680850 Density= 3.499738 ETOT(band)= -1.765758 trlgG= -2.458770 logG= -0.680850 TDE= -4.586167 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102174 tlogG= -0.580327 logG= -0.682501 Density= 3.499678 ETOT(band)= -1.766893 trlgG= -2.461844 logG= -0.682501 TDE= -4.587543 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101611 tlogG= -0.583239 logG= -0.684850 Density= 3.498390 ETOT(band)= -1.770118 trlgG= -2.464572 logG= -0.684850 TDE= -4.586888 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101159 tlogG= -0.590834 logG= -0.691992 Density= 3.497304 ETOT(band)= -1.776131 trlgG= -2.476918 logG= -0.691992 TDE= -4.591219 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101787 tlogG= -0.582852 logG= -0.684639 Density= 3.498985 ETOT(band)= -1.769278 trlgG= -2.463761 logG= -0.684639 TDE= -4.586764 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101990 tlogG= -0.581951 logG= -0.683941 Density= 3.499364 ETOT(band)= -1.768279 trlgG= -2.463694 logG= -0.683941 TDE= -4.587700 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101824 tlogG= -0.582268 logG= -0.684092 Density= 3.498809 ETOT(band)= -1.768999 trlgG= -2.464514 logG= -0.684092 TDE= -4.587924 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101391 tlogG= -0.588148 logG= -0.689540 Density= 3.497804 ETOT(band)= -1.773866 trlgG= -2.473052 logG= -0.689540 TDE= -4.590207 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101560 tlogG= -0.585321 logG= -0.686881 Density= 3.498383 ETOT(band)= -1.771489 trlgG= -2.467600 logG= -0.686881 TDE= -4.587879 logGD-logG0= -0.101577 tlogG= -0.585447 logG= -0.687025 Density= 3.498541 ETOT(band)= -1.771402 trlgG= -2.467136 logG= -0.687025 TDE= -4.587397 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101519 tlogG= -0.587114 logG= -0.688633 Density= 3.498200 ETOT(band)= -1.772778 trlgG= -2.471112 logG= -0.688633 TDE= -4.589492 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102283 tlogG= -0.578175 logG= -0.680458 Density= 3.499850 ETOT(band)= -1.765309 trlgG= -2.458321 logG= -0.680458 TDE= -4.586200 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101560 tlogG= -0.585036 logG= -0.686596 Density= 3.498224 ETOT(band)= -1.771414 trlgG= -2.468272 logG= -0.686596 TDE= -4.588707 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101289 tlogG= -0.590291 logG= -0.691580 Density= 3.497522 ETOT(band)= -1.775524 trlgG= -2.476512 logG= -0.691580 TDE= -4.591400 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101528 tlogG= -0.587573 logG= -0.689101 Density= 3.498088 ETOT(band)= -1.773186 trlgG= -2.472752 logG= -0.689101 TDE= -4.590574 logGD-logG0= -0.101882 tlogG= -0.582418 logG= -0.684300 Density= 3.499142 ETOT(band)= -1.768813 trlgG= -2.463808 logG= -0.684300 TDE= -4.587277 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101432 tlogG= -0.589702 logG= -0.691134 Density= 3.497818 ETOT(band)= -1.774828 trlgG= -2.476062 logG= -0.691134 TDE= -4.591634 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101287 tlogG= -0.587848 logG= -0.689136 Density= 3.497534 ETOT(band)= -1.773968 trlgG= -2.472016 logG= -0.689136 TDE= -4.589359 logGD-logG0= -0.102374 tlogG= -0.577996 logG= -0.680369 Density= 3.500128 ETOT(band)= -1.764944 trlgG= -2.457924 logG= -0.680369 TDE= -4.586115 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101692 tlogG= -0.584500 logG= -0.686192 Density= 3.498497 ETOT(band)= -1.770779 trlgG= -2.468103 logG= -0.686192 TDE= -4.589163 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101641 tlogG= -0.585155 logG= -0.686796 Density= 3.498592 ETOT(band)= -1.771133 trlgG= -2.467470 logG= -0.686796 TDE= -4.588002 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101364 tlogG= -0.585891 logG= -0.687255 Density= 3.497801 ETOT(band)= -1.772435 trlgG= -2.468355 logG= -0.687255 TDE= -4.587793 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101090 tlogG= -0.590984 logG= -0.692074 Density= 3.497078 ETOT(band)= -1.776477 trlgG= -2.477185 logG= -0.692074 TDE= -4.591223 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101532 tlogG= -0.585692 logG= -0.687224 Density= 3.498545 ETOT(band)= -1.771583 trlgG= -2.466386 logG= -0.687224 TDE= -4.586451 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102747 tlogG= -0.574715 logG= -0.677462 Density= 3.500906 ETOT(band)= -1.762005 trlgG= -2.453247 logG= -0.677462 TDE= -4.584969 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1156.49076309947 eV TrLogG= -1610.72008162360 eV Ratio to renormalize= 1.000412971535 rho-rho_expected=-0.069350577983 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 47) Finished k-point number 48 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 32) Finished k-point number 33 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= 0.834700423359301 0.831831285977139 0.835117774243492 0.831743835126571 0.835284782339899 0.831665970032315 0.834951343888566 0.831721050207217 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101418 tlogG= -0.591419 logG= -0.692838 Density= 3.497683 ETOT(band)= -1.776096 trlgG= -2.479536 logG= -0.692838 TDE= -4.593297 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101693 tlogG= -0.584498 logG= -0.686191 Density= 3.498499 ETOT(band)= -1.770781 trlgG= -2.468106 logG= -0.686191 TDE= -4.589168 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101230 tlogG= -0.592123 logG= -0.693353 Density= 3.497283 ETOT(band)= -1.776964 trlgG= -2.480140 logG= -0.693353 TDE= -4.593064 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101075 tlogG= -0.592788 logG= -0.693863 Density= 3.496991 ETOT(band)= -1.777747 trlgG= -2.480853 logG= -0.693863 TDE= -4.593033 logGD-logG0= -0.102109 tlogG= -0.578844 logG= -0.680953 Density= 3.499469 ETOT(band)= -1.766141 trlgG= -2.459166 logG= -0.680953 TDE= -4.586244 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102284 tlogG= -0.578173 logG= -0.680458 Density= 3.499853 ETOT(band)= -1.765311 trlgG= -2.458323 logG= -0.680458 TDE= -4.586205 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101160 tlogG= -0.590832 logG= -0.691992 Density= 3.497306 ETOT(band)= -1.776134 trlgG= -2.476920 logG= -0.691992 TDE= -4.591224 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101461 tlogG= -0.585541 logG= -0.687002 Density= 3.498041 ETOT(band)= -1.771985 trlgG= -2.468036 logG= -0.687002 TDE= -4.587920 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101436 tlogG= -0.587532 logG= -0.688968 Density= 3.498053 ETOT(band)= -1.773229 trlgG= -2.471159 logG= -0.688968 TDE= -4.589087 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101561 tlogG= -0.585320 logG= -0.686881 Density= 3.498386 ETOT(band)= -1.771492 trlgG= -2.467603 logG= -0.686881 TDE= -4.587884 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101393 tlogG= -0.588147 logG= -0.689539 Density= 3.497807 ETOT(band)= -1.773869 trlgG= -2.473054 logG= -0.689539 TDE= -4.590212 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101350 tlogG= -0.587903 logG= -0.689253 Density= 3.497953 ETOT(band)= -1.773590 trlgG= -2.470922 logG= -0.689253 TDE= -4.588484 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101300 tlogG= -0.586187 logG= -0.687487 Density= 3.497755 ETOT(band)= -1.772720 trlgG= -2.467315 logG= -0.687487 TDE= -4.586483 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101655 tlogG= -0.584832 logG= -0.686487 Density= 3.498551 ETOT(band)= -1.770960 trlgG= -2.467766 logG= -0.686487 TDE= -4.588574 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=141 logGD-logG0= -0.102019 tlogG= -0.580974 logG= -0.682993 Density= 3.499316 ETOT(band)= -1.767695 trlgG= -2.462279 logG= -0.682993 TDE= -4.587195 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101382 tlogG= -0.589808 logG= -0.691191 Density= 3.497628 ETOT(band)= -1.775103 trlgG= -2.476411 logG= -0.691191 TDE= -4.591774 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101274 tlogG= -0.588685 logG= -0.689959 Density= 3.497592 ETOT(band)= -1.774474 trlgG= -2.473035 logG= -0.689959 TDE= -4.589601 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101870 tlogG= -0.581566 logG= -0.683436 Density= 3.499009 ETOT(band)= -1.768403 trlgG= -2.462781 logG= -0.683436 TDE= -4.587007 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101366 tlogG= -0.585889 logG= -0.687255 Density= 3.497804 ETOT(band)= -1.772438 trlgG= -2.468358 logG= -0.687255 TDE= -4.587798 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101231 tlogG= -0.590419 logG= -0.691650 Density= 3.497315 ETOT(band)= -1.775837 trlgG= -2.476848 logG= -0.691650 TDE= -4.591501 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101612 tlogG= -0.583238 logG= -0.684850 Density= 3.498393 ETOT(band)= -1.770121 trlgG= -2.464575 logG= -0.684850 TDE= -4.586893 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102375 tlogG= -0.577994 logG= -0.680369 Density= 3.500131 ETOT(band)= -1.764947 trlgG= -2.457927 logG= -0.680369 TDE= -4.586120 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101288 tlogG= -0.587847 logG= -0.689135 Density= 3.497537 ETOT(band)= -1.773971 trlgG= -2.472019 logG= -0.689135 TDE= -4.589364 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102516 tlogG= -0.575558 logG= -0.678075 Density= 3.500372 ETOT(band)= -1.763088 trlgG= -2.454538 logG= -0.678075 TDE= -4.585219 logGD-logG0= -0.101092 tlogG= -0.590982 logG= -0.692074 Density= 3.497081 ETOT(band)= -1.776480 trlgG= -2.477187 logG= -0.692074 TDE= -4.591228 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101825 tlogG= -0.582266 logG= -0.684091 Density= 3.498812 ETOT(band)= -1.769001 trlgG= -2.464517 logG= -0.684091 TDE= -4.587929 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102175 tlogG= -0.580326 logG= -0.682500 Density= 3.499681 ETOT(band)= -1.766896 trlgG= -2.461847 logG= -0.682500 TDE= -4.587548 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101442 tlogG= -0.585538 logG= -0.686980 Density= 3.497924 ETOT(band)= -1.772063 trlgG= -2.468598 logG= -0.686980 TDE= -4.588410 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101520 tlogG= -0.587112 logG= -0.688633 Density= 3.498203 ETOT(band)= -1.772781 trlgG= -2.471114 logG= -0.688633 TDE= -4.589497 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101579 tlogG= -0.585446 logG= -0.687024 Density= 3.498543 ETOT(band)= -1.771404 trlgG= -2.467138 logG= -0.687024 TDE= -4.587403 logGD-logG0= -0.101779 tlogG= -0.584321 logG= -0.686100 Density= 3.498806 ETOT(band)= -1.770369 trlgG= -2.467631 logG= -0.686100 TDE= -4.589030 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102987 tlogG= -0.573828 logG= -0.676814 Density= 3.501499 ETOT(band)= -1.760852 trlgG= -2.452131 logG= -0.676814 TDE= -4.584976 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101433 tlogG= -0.589700 logG= -0.691134 Density= 3.497821 ETOT(band)= -1.774830 trlgG= -2.476064 logG= -0.691134 TDE= -4.591639 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102467 tlogG= -0.577440 logG= -0.679907 Density= 3.500289 ETOT(band)= -1.764383 trlgG= -2.457554 logG= -0.679907 TDE= -4.586336 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102748 tlogG= -0.574714 logG= -0.677462 Density= 3.500909 ETOT(band)= -1.762008 trlgG= -2.453249 logG= -0.677462 TDE= -4.584974 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101710 tlogG= -0.582772 logG= -0.684482 Density= 3.498571 ETOT(band)= -1.769600 trlgG= -2.464653 logG= -0.684482 TDE= -4.587482 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101392 tlogG= -0.587379 logG= -0.688772 Density= 3.497726 ETOT(band)= -1.773439 trlgG= -2.471957 logG= -0.688772 TDE= -4.589818 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101529 tlogG= -0.587572 logG= -0.689101 Density= 3.498091 ETOT(band)= -1.773189 trlgG= -2.472754 logG= -0.689101 TDE= -4.590579 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102560 tlogG= -0.577270 logG= -0.679830 Density= 3.500574 ETOT(band)= -1.764034 trlgG= -2.457195 logG= -0.679830 TDE= -4.586283 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101642 tlogG= -0.585154 logG= -0.686796 Density= 3.498595 ETOT(band)= -1.771136 trlgG= -2.467473 logG= -0.686796 TDE= -4.588008 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101991 tlogG= -0.581949 logG= -0.683941 Density= 3.499367 ETOT(band)= -1.768282 trlgG= -2.463697 logG= -0.683941 TDE= -4.587705 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101190 tlogG= -0.588258 logG= -0.689448 Density= 3.497395 ETOT(band)= -1.774409 trlgG= -2.471568 logG= -0.689448 TDE= -4.588487 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101562 tlogG= -0.585034 logG= -0.686596 Density= 3.498227 ETOT(band)= -1.771417 trlgG= -2.468274 logG= -0.686596 TDE= -4.588713 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101533 tlogG= -0.585690 logG= -0.687223 Density= 3.498548 ETOT(band)= -1.771586 trlgG= -2.466388 logG= -0.687223 TDE= -4.586457 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101883 tlogG= -0.582416 logG= -0.684300 Density= 3.499145 ETOT(band)= -1.768816 trlgG= -2.463811 logG= -0.684300 TDE= -4.587282 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102196 tlogG= -0.578653 logG= -0.680850 Density= 3.499741 ETOT(band)= -1.765761 trlgG= -2.458773 logG= -0.680850 TDE= -4.586173 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101290 tlogG= -0.590290 logG= -0.691580 Density= 3.497525 ETOT(band)= -1.775527 trlgG= -2.476514 logG= -0.691580 TDE= -4.591405 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101789 tlogG= -0.582850 logG= -0.684639 Density= 3.498987 ETOT(band)= -1.769281 trlgG= -2.463764 logG= -0.684639 TDE= -4.586770 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 Sum of eigenvalues= -1156.49250231420 eV TrLogG= -1610.72323771830 eV Ratio to renormalize= 1.000412145936 rho-rho_expected=-0.069211991771 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 105 32) Finished k-point number 33 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= 0.834696784748624 0.831827455050467 0.835114151309368 0.831739993709356 0.835281175890433 0.831662121305015 0.834947708756807 0.831717210786452 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101245 tlogG= -0.587381 logG= -0.688627 Density= 3.497441 ETOT(band)= -1.773668 trlgG= -2.472032 logG= -0.688627 TDE= -4.589810 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101235 tlogG= -0.589810 logG= -0.691045 Density= 3.497344 ETOT(band)= -1.775332 trlgG= -2.476487 logG= -0.691045 TDE= -4.591767 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101678 tlogG= -0.582268 logG= -0.683946 Density= 3.498529 ETOT(band)= -1.769228 trlgG= -2.464590 logG= -0.683946 TDE= -4.587921 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101272 tlogG= -0.591421 logG= -0.692693 Density= 3.497399 ETOT(band)= -1.776325 trlgG= -2.479613 logG= -0.692693 TDE= -4.593290 logGD-logG0= -0.101084 tlogG= -0.590421 logG= -0.691505 Density= 3.497029 ETOT(band)= -1.776066 trlgG= -2.476925 logG= -0.691505 TDE= -4.591494 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101962 tlogG= -0.578845 logG= -0.680807 Density= 3.499187 ETOT(band)= -1.766366 trlgG= -2.459237 logG= -0.680807 TDE= -4.586235 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101289 tlogG= -0.587534 logG= -0.688822 Density= 3.497768 ETOT(band)= -1.773458 trlgG= -2.471235 logG= -0.688822 TDE= -4.589079 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101414 tlogG= -0.585321 logG= -0.686735 Density= 3.498101 ETOT(band)= -1.771720 trlgG= -2.467677 logG= -0.686735 TDE= -4.587876 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102137 tlogG= -0.578175 logG= -0.680312 Density= 3.499572 ETOT(band)= -1.765536 trlgG= -2.458395 logG= -0.680312 TDE= -4.586197 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101153 tlogG= -0.586189 logG= -0.687342 Density= 3.497469 ETOT(band)= -1.772950 trlgG= -2.467391 logG= -0.687342 TDE= -4.586475 logGD-logG0= -0.101871 tlogG= -0.580975 logG= -0.682847 Density= 3.499034 ETOT(band)= -1.767921 trlgG= -2.462352 logG= -0.682847 TDE= -4.587187 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101641 tlogG= -0.582852 logG= -0.684493 Density= 3.498703 ETOT(band)= -1.769508 trlgG= -2.463838 logG= -0.684493 TDE= -4.586762 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101722 tlogG= -0.581568 logG= -0.683290 Density= 3.498726 ETOT(band)= -1.768630 trlgG= -2.462854 logG= -0.683290 TDE= -4.586999 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101203 tlogG= -0.587904 logG= -0.689107 Density= 3.497667 ETOT(band)= -1.773819 trlgG= -2.470998 logG= -0.689107 TDE= -4.588476 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100928 tlogG= -0.592790 logG= -0.693718 Density= 3.496705 ETOT(band)= -1.777977 trlgG= -2.480931 logG= -0.693718 TDE= -4.593026 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101013 tlogG= -0.590834 logG= -0.691847 Density= 3.497020 ETOT(band)= -1.776364 trlgG= -2.476997 logG= -0.691847 TDE= -4.591216 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101373 tlogG= -0.587114 logG= -0.688487 Density= 3.497919 ETOT(band)= -1.773009 trlgG= -2.471189 logG= -0.688487 TDE= -4.589490 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101465 tlogG= -0.583239 logG= -0.684704 Density= 3.498109 ETOT(band)= -1.770348 trlgG= -2.464649 logG= -0.684704 TDE= -4.586885 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102600 tlogG= -0.574715 logG= -0.677316 Density= 3.500631 ETOT(band)= -1.762230 trlgG= -2.453318 logG= -0.677316 TDE= -4.584966 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.101084 tlogG= -0.592124 logG= -0.693208 Density= 3.496998 ETOT(band)= -1.777194 trlgG= -2.480217 logG= -0.693208 TDE= -4.593057 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101246 tlogG= -0.588148 logG= -0.689394 Density= 3.497522 ETOT(band)= -1.774098 trlgG= -2.473130 logG= -0.689394 TDE= -4.590204 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101844 tlogG= -0.581951 logG= -0.683795 Density= 3.499085 ETOT(band)= -1.768507 trlgG= -2.463769 logG= -0.683795 TDE= -4.587698 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101295 tlogG= -0.585539 logG= -0.686834 Density= 3.497639 ETOT(band)= -1.772291 trlgG= -2.468673 logG= -0.686834 TDE= -4.588402 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101141 tlogG= -0.587848 logG= -0.688990 Density= 3.497251 ETOT(band)= -1.774200 trlgG= -2.472095 logG= -0.688990 TDE= -4.589356 logGD-logG0= -0.102049 tlogG= -0.578655 logG= -0.680704 Density= 3.499460 ETOT(band)= -1.765986 trlgG= -2.458844 logG= -0.680704 TDE= -4.586165 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102839 tlogG= -0.573830 logG= -0.676668 Density= 3.501222 ETOT(band)= -1.761073 trlgG= -2.452199 logG= -0.676668 TDE= -4.584968 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.102227 tlogG= -0.577996 logG= -0.680223 Density= 3.499851 ETOT(band)= -1.765171 trlgG= -2.457998 logG= -0.680223 TDE= -4.586113 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101414 tlogG= -0.585036 logG= -0.686450 Density= 3.497942 ETOT(band)= -1.771645 trlgG= -2.468349 logG= -0.686450 TDE= -4.588705 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102413 tlogG= -0.577271 logG= -0.679684 Density= 3.500295 ETOT(band)= -1.764257 trlgG= -2.457265 logG= -0.679684 TDE= -4.586275 logGD-logG0= -0.101632 tlogG= -0.584323 logG= -0.685954 Density= 3.498523 ETOT(band)= -1.770596 trlgG= -2.467705 logG= -0.685954 TDE= -4.589023 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101495 tlogG= -0.585155 logG= -0.686650 Density= 3.498311 ETOT(band)= -1.771364 trlgG= -2.467547 logG= -0.686650 TDE= -4.587999 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101127 tlogG= -0.588687 logG= -0.689813 Density= 3.497306 ETOT(band)= -1.774703 trlgG= -2.473111 logG= -0.689813 TDE= -4.589593 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101546 tlogG= -0.584500 logG= -0.686046 Density= 3.498216 ETOT(band)= -1.771009 trlgG= -2.468180 logG= -0.686046 TDE= -4.589160 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101431 tlogG= -0.585447 logG= -0.686878 Density= 3.498258 ETOT(band)= -1.771632 trlgG= -2.467213 logG= -0.686878 TDE= -4.587394 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101287 tlogG= -0.589702 logG= -0.690989 Density= 3.497537 ETOT(band)= -1.775059 trlgG= -2.476140 logG= -0.690989 TDE= -4.591632 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101736 tlogG= -0.582418 logG= -0.684154 Density= 3.498862 ETOT(band)= -1.769042 trlgG= -2.463884 logG= -0.684154 TDE= -4.587274 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101314 tlogG= -0.585542 logG= -0.686856 Density= 3.497756 ETOT(band)= -1.772213 trlgG= -2.468111 logG= -0.686856 TDE= -4.587912 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100945 tlogG= -0.590984 logG= -0.691929 Density= 3.496794 ETOT(band)= -1.776709 trlgG= -2.477264 logG= -0.691929 TDE= -4.591221 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102320 tlogG= -0.577442 logG= -0.679761 Density= 3.500010 ETOT(band)= -1.764607 trlgG= -2.457624 logG= -0.679761 TDE= -4.586329 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101143 tlogG= -0.590292 logG= -0.691434 Density= 3.497239 ETOT(band)= -1.775756 trlgG= -2.476590 logG= -0.691434 TDE= -4.591398 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101043 tlogG= -0.588259 logG= -0.689302 Density= 3.497109 ETOT(band)= -1.774639 trlgG= -2.471644 logG= -0.689302 TDE= -4.588480 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101382 tlogG= -0.587574 logG= -0.688955 Density= 3.497807 ETOT(band)= -1.773417 trlgG= -2.472829 logG= -0.688955 TDE= -4.590571 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102369 tlogG= -0.575560 logG= -0.677929 Density= 3.500092 ETOT(band)= -1.763312 trlgG= -2.454608 logG= -0.677929 TDE= -4.585210 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102027 tlogG= -0.580327 logG= -0.682355 Density= 3.499401 ETOT(band)= -1.767120 trlgG= -2.461918 logG= -0.682355 TDE= -4.587540 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101218 tlogG= -0.585891 logG= -0.687109 Density= 3.497518 ETOT(band)= -1.772667 trlgG= -2.468433 logG= -0.687109 TDE= -4.587790 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101508 tlogG= -0.584834 logG= -0.686341 Density= 3.498267 ETOT(band)= -1.771188 trlgG= -2.467840 logG= -0.686341 TDE= -4.588566 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101563 tlogG= -0.582773 logG= -0.684336 Density= 3.498287 ETOT(band)= -1.769827 trlgG= -2.464727 logG= -0.684336 TDE= -4.587474 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101386 tlogG= -0.585692 logG= -0.687077 Density= 3.498262 ETOT(band)= -1.771814 trlgG= -2.466463 logG= -0.687077 TDE= -4.586449 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 Sum of eigenvalues= -1156.64093017253 eV TrLogG= -1610.62303500043 eV Ratio to renormalize= 1.000493260628 rho-rho_expected=-0.082826930197 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 34) Finished k-point number 35 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= 105 42) Finished k-point number 43 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 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 30) Finished k-point number 31 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 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= 105 13) Finished k-point number 14 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834699316074966 0.831830315005409 0.835116695215109 0.831742850302839 0.835283682358267 0.831664994162862 0.834950239257862 0.831720074802648 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101014 tlogG= -0.590833 logG= -0.691847 Density= 3.497024 ETOT(band)= -1.776367 trlgG= -2.477001 logG= -0.691847 TDE= -4.591222 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101509 tlogG= -0.584833 logG= -0.686342 Density= 3.498271 ETOT(band)= -1.771191 trlgG= -2.467844 logG= -0.686342 TDE= -4.588572 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102840 tlogG= -0.573829 logG= -0.676669 Density= 3.501226 ETOT(band)= -1.761076 trlgG= -2.452202 logG= -0.676669 TDE= -4.584975 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.100929 tlogG= -0.592789 logG= -0.693718 Density= 3.496709 ETOT(band)= -1.777980 trlgG= -2.480934 logG= -0.693718 TDE= -4.593032 logGD-logG0= -0.101724 tlogG= -0.581567 logG= -0.683291 Density= 3.498730 ETOT(band)= -1.768633 trlgG= -2.462859 logG= -0.683291 TDE= -4.587006 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101963 tlogG= -0.578844 logG= -0.680807 Density= 3.499190 ETOT(band)= -1.766369 trlgG= -2.459242 logG= -0.680807 TDE= -4.586242 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101873 tlogG= -0.580974 logG= -0.682847 Density= 3.499038 ETOT(band)= -1.767924 trlgG= -2.462356 logG= -0.682847 TDE= -4.587194 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101296 tlogG= -0.585538 logG= -0.686834 Density= 3.497643 ETOT(band)= -1.772295 trlgG= -2.468677 logG= -0.686834 TDE= -4.588408 logGD-logG0= -0.101247 tlogG= -0.587380 logG= -0.688627 Density= 3.497445 ETOT(band)= -1.773671 trlgG= -2.472036 logG= -0.688627 TDE= -4.589816 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101315 tlogG= -0.585541 logG= -0.686857 Density= 3.497759 ETOT(band)= -1.772216 trlgG= -2.468115 logG= -0.686857 TDE= -4.587918 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101273 tlogG= -0.591420 logG= -0.692693 Density= 3.497403 ETOT(band)= -1.776328 trlgG= -2.479615 logG= -0.692693 TDE= -4.593295 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=134 logGD-logG0= -0.102139 tlogG= -0.578174 logG= -0.680312 Density= 3.499576 ETOT(band)= -1.765539 trlgG= -2.458399 logG= -0.680312 TDE= -4.586203 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101237 tlogG= -0.589809 logG= -0.691046 Density= 3.497347 ETOT(band)= -1.775335 trlgG= -2.476490 logG= -0.691046 TDE= -4.591773 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101290 tlogG= -0.587533 logG= -0.688823 Density= 3.497771 ETOT(band)= -1.773461 trlgG= -2.471239 logG= -0.688823 TDE= -4.589085 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101144 tlogG= -0.590291 logG= -0.691435 Density= 3.497243 ETOT(band)= -1.775759 trlgG= -2.476594 logG= -0.691435 TDE= -4.591404 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102050 tlogG= -0.578654 logG= -0.680704 logGD-logG0= -0.101433 tlogG= -0.585446 logG= -0.686879 Density= 3.498262 ETOT(band)= -1.771635 trlgG= -2.467217 logG= -0.686879 TDE= -4.587401 Density= 3.499463 ETOT(band)= -1.765989 trlgG= -2.458849 logG= -0.680704 TDE= -4.586171 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101547 tlogG= -0.584499 logG= -0.686046 logGD-logG0= -0.101220 tlogG= -0.585890 logG= -0.687110 Density= 3.498220 ETOT(band)= -1.771012 trlgG= -2.468184 logG= -0.686046 TDE= -4.589166 Density= 3.497521 ETOT(band)= -1.772670 trlgG= -2.468437 logG= -0.687110 TDE= -4.587796 logGD-logG0= -0.101154 tlogG= -0.586188 logG= -0.687342 Density= 3.497472 ETOT(band)= -1.772953 trlgG= -2.467395 logG= -0.687342 TDE= -4.586482 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101247 tlogG= -0.588147 logG= -0.689394 Density= 3.497525 ETOT(band)= -1.774101 trlgG= -2.473134 logG= -0.689394 TDE= -4.590211 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101128 tlogG= -0.588686 logG= -0.689814 Density= 3.497310 ETOT(band)= -1.774706 trlgG= -2.473115 logG= -0.689814 TDE= -4.589599 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101143 tlogG= -0.587847 logG= -0.688990 Density= 3.497255 ETOT(band)= -1.774203 trlgG= -2.472098 logG= -0.688990 TDE= -4.589363 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102029 tlogG= -0.580326 logG= -0.682355 Density= 3.499404 ETOT(band)= -1.767124 trlgG= -2.461922 logG= -0.682355 TDE= -4.587546 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101415 tlogG= -0.585321 logG= -0.686736 Density= 3.498105 ETOT(band)= -1.771723 trlgG= -2.467681 logG= -0.686736 TDE= -4.587882 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101564 tlogG= -0.582772 logG= -0.684337 Density= 3.498291 ETOT(band)= -1.769830 trlgG= -2.464731 logG= -0.684337 TDE= -4.587480 logGD-logG0= -0.101086 tlogG= -0.590420 logG= -0.691505 Density= 3.497033 ETOT(band)= -1.776069 trlgG= -2.476929 logG= -0.691505 TDE= -4.591499 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101466 tlogG= -0.583238 logG= -0.684705 Density= 3.498112 ETOT(band)= -1.770352 trlgG= -2.464654 logG= -0.684705 TDE= -4.586892 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101044 tlogG= -0.588258 logG= -0.689302 Density= 3.497112 ETOT(band)= -1.774642 trlgG= -2.471648 logG= -0.689302 TDE= -4.588486 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101679 tlogG= -0.582267 logG= -0.683946 Density= 3.498533 ETOT(band)= -1.769231 trlgG= -2.464594 logG= -0.683946 TDE= -4.587928 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101737 tlogG= -0.582417 logG= -0.684154 Density= 3.498865 ETOT(band)= -1.769046 trlgG= -2.463888 logG= -0.684154 TDE= -4.587280 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101205 tlogG= -0.587903 logG= -0.689108 Density= 3.497671 ETOT(band)= -1.773822 trlgG= -2.471002 logG= -0.689108 TDE= -4.588482 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101085 tlogG= -0.592123 logG= -0.693208 Density= 3.497001 ETOT(band)= -1.777197 trlgG= -2.480220 logG= -0.693208 TDE= -4.593063 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101416 tlogG= -0.585035 logG= -0.686451 Density= 3.497946 ETOT(band)= -1.771648 trlgG= -2.468353 logG= -0.686451 TDE= -4.588711 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101288 tlogG= -0.589701 logG= -0.690989 Density= 3.497540 ETOT(band)= -1.775062 trlgG= -2.476143 logG= -0.690989 TDE= -4.591637 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100946 tlogG= -0.590983 logG= -0.691929 Density= 3.496798 ETOT(band)= -1.776713 trlgG= -2.477268 logG= -0.691929 TDE= -4.591227 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101383 tlogG= -0.587572 logG= -0.688956 Density= 3.497811 ETOT(band)= -1.773420 trlgG= -2.472833 logG= -0.688956 TDE= -4.590577 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101845 tlogG= -0.581950 logG= -0.683795 Density= 3.499088 ETOT(band)= -1.768510 trlgG= -2.463773 logG= -0.683795 TDE= -4.587704 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101633 tlogG= -0.584322 logG= -0.685955 Density= 3.498526 ETOT(band)= -1.770599 trlgG= -2.467709 logG= -0.685955 TDE= -4.589029 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101387 tlogG= -0.585691 logG= -0.687078 Density= 3.498266 ETOT(band)= -1.771817 trlgG= -2.466468 logG= -0.687078 TDE= -4.586455 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102602 tlogG= -0.574714 logG= -0.677316 Density= 3.500634 ETOT(band)= -1.762233 trlgG= -2.453322 logG= -0.677316 TDE= -4.584972 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.101375 tlogG= -0.587113 logG= -0.688488 Density= 3.497922 ETOT(band)= -1.773012 trlgG= -2.471193 logG= -0.688488 TDE= -4.589496 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101496 tlogG= -0.585154 logG= -0.686651 Density= 3.498315 ETOT(band)= -1.771367 trlgG= -2.467551 logG= -0.686651 TDE= -4.588006 logGD-logG0= -0.102321 tlogG= -0.577441 logG= -0.679762 Density= 3.500014 ETOT(band)= -1.764610 trlgG= -2.457628 logG= -0.679762 TDE= -4.586335 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102414 tlogG= -0.577270 logG= -0.679684 Density= 3.500298 ETOT(band)= -1.764260 trlgG= -2.457269 logG= -0.679684 TDE= -4.586281 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102370 tlogG= -0.575559 logG= -0.677929 Density= 3.500096 ETOT(band)= -1.763315 trlgG= -2.454612 logG= -0.677929 TDE= -4.585217 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102229 tlogG= -0.577995 logG= -0.680224 Density= 3.499855 ETOT(band)= -1.765174 trlgG= -2.458002 logG= -0.680224 TDE= -4.586119 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101642 tlogG= -0.582851 logG= -0.684493 Density= 3.498707 ETOT(band)= -1.769511 trlgG= -2.463842 logG= -0.684493 TDE= -4.586768 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 Sum of eigenvalues= -1156.64298257911 eV TrLogG= -1610.62745260631 eV Ratio to renormalize= 1.000492234842 rho-rho_expected=-0.082654767923 nargs= 1 argi=dmft2.def 18) Finished k-point number 19 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 22) Finished k-point number 23 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= 105 11) Finished k-point number 12 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 32) Finished k-point number 33 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= 0.834700263430232 0.831831606290947 0.835117668953526 0.831744130714346 0.835284622485351 0.831666290651377 0.834951189352103 0.831721368534960 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101291 tlogG= -0.587532 logG= -0.688822 Density= 3.497773 ETOT(band)= -1.773461 trlgG= -2.471239 logG= -0.688822 TDE= -4.589087 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101274 tlogG= -0.591419 logG= -0.692693 Density= 3.497404 ETOT(band)= -1.776328 trlgG= -2.479615 logG= -0.692693 TDE= -4.593297 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101467 tlogG= -0.583237 logG= -0.684704 Density= 3.498114 ETOT(band)= -1.770352 trlgG= -2.464654 logG= -0.684704 TDE= -4.586893 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.100930 tlogG= -0.592788 logG= -0.693718 Density= 3.496710 ETOT(band)= -1.777980 trlgG= -2.480934 logG= -0.693718 TDE= -4.593034 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101388 tlogG= -0.585690 logG= -0.687078 Density= 3.498267 ETOT(band)= -1.771818 trlgG= -2.466468 logG= -0.687078 TDE= -4.586457 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101417 tlogG= -0.585034 logG= -0.686450 Density= 3.497947 ETOT(band)= -1.771648 trlgG= -2.468353 logG= -0.686450 TDE= -4.588713 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101874 tlogG= -0.580973 logG= -0.682847 Density= 3.499039 ETOT(band)= -1.767925 trlgG= -2.462356 logG= -0.682847 TDE= -4.587195 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101155 tlogG= -0.586187 logG= -0.687342 Density= 3.497474 ETOT(band)= -1.772953 trlgG= -2.467395 logG= -0.687342 TDE= -4.586483 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102029 tlogG= -0.580325 logG= -0.682354 Density= 3.499406 ETOT(band)= -1.767124 trlgG= -2.461922 logG= -0.682354 TDE= -4.587548 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102139 tlogG= -0.578173 logG= -0.680312 Density= 3.499577 ETOT(band)= -1.765539 trlgG= -2.458399 logG= -0.680312 TDE= -4.586205 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101510 tlogG= -0.584831 logG= -0.686341 Density= 3.498272 ETOT(band)= -1.771191 trlgG= -2.467844 logG= -0.686341 TDE= -4.588574 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101964 tlogG= -0.578843 logG= -0.680807 Density= 3.499192 ETOT(band)= -1.766370 trlgG= -2.459242 logG= -0.680807 TDE= -4.586244 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101205 tlogG= -0.587902 logG= -0.689108 Density= 3.497672 ETOT(band)= -1.773823 trlgG= -2.471002 logG= -0.689108 TDE= -4.588484 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101316 tlogG= -0.585540 logG= -0.686856 Density= 3.497761 ETOT(band)= -1.772216 trlgG= -2.468116 logG= -0.686856 TDE= -4.587920 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101143 tlogG= -0.587846 logG= -0.688990 Density= 3.497256 ETOT(band)= -1.774204 trlgG= -2.472098 logG= -0.688990 TDE= -4.589364 logGD-logG0= -0.101416 tlogG= -0.585319 logG= -0.686735 Density= 3.498106 ETOT(band)= -1.771724 trlgG= -2.467681 logG= -0.686735 TDE= -4.587884 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101015 tlogG= -0.590832 logG= -0.691847 Density= 3.497025 ETOT(band)= -1.776367 trlgG= -2.477000 logG= -0.691847 TDE= -4.591224 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101846 tlogG= -0.581949 logG= -0.683795 Density= 3.499090 ETOT(band)= -1.768511 trlgG= -2.463773 logG= -0.683795 TDE= -4.587706 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101643 tlogG= -0.582850 logG= -0.684493 Density= 3.498709 ETOT(band)= -1.769511 trlgG= -2.463842 logG= -0.684493 TDE= -4.586770 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101129 tlogG= -0.588685 logG= -0.689813 Density= 3.497311 ETOT(band)= -1.774707 trlgG= -2.473114 logG= -0.689813 TDE= -4.589601 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101248 tlogG= -0.587379 logG= -0.688627 Density= 3.497447 ETOT(band)= -1.773671 trlgG= -2.472036 logG= -0.688627 TDE= -4.589818 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101738 tlogG= -0.582416 logG= -0.684154 Density= 3.498867 ETOT(band)= -1.769046 trlgG= -2.463888 logG= -0.684154 TDE= -4.587282 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101297 tlogG= -0.585537 logG= -0.686834 Density= 3.497644 ETOT(band)= -1.772295 trlgG= -2.468677 logG= -0.686834 TDE= -4.588410 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101725 tlogG= -0.581566 logG= -0.683290 Density= 3.498731 ETOT(band)= -1.768633 trlgG= -2.462859 logG= -0.683290 TDE= -4.587007 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101237 tlogG= -0.589808 logG= -0.691045 Density= 3.497349 ETOT(band)= -1.775335 trlgG= -2.476490 logG= -0.691045 TDE= -4.591774 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101086 tlogG= -0.590419 logG= -0.691505 Density= 3.497034 ETOT(band)= -1.776070 trlgG= -2.476928 logG= -0.691505 TDE= -4.591501 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102322 tlogG= -0.577439 logG= -0.679761 Density= 3.500015 ETOT(band)= -1.764610 trlgG= -2.457628 logG= -0.679761 TDE= -4.586336 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101565 tlogG= -0.582771 logG= -0.684336 Density= 3.498292 ETOT(band)= -1.769830 trlgG= -2.464731 logG= -0.684336 TDE= -4.587482 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102415 tlogG= -0.577269 logG= -0.679684 Density= 3.500300 ETOT(band)= -1.764260 trlgG= -2.457269 logG= -0.679684 TDE= -4.586283 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101289 tlogG= -0.589700 logG= -0.690988 Density= 3.497542 ETOT(band)= -1.775062 trlgG= -2.476143 logG= -0.690988 TDE= -4.591639 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101086 tlogG= -0.592122 logG= -0.693208 Density= 3.497003 ETOT(band)= -1.777197 trlgG= -2.480220 logG= -0.693208 TDE= -4.593064 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101634 tlogG= -0.584321 logG= -0.685954 Density= 3.498528 ETOT(band)= -1.770599 trlgG= -2.467709 logG= -0.685954 TDE= -4.589031 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101433 tlogG= -0.585445 logG= -0.686878 Density= 3.498264 ETOT(band)= -1.771636 trlgG= -2.467217 logG= -0.686878 TDE= -4.587403 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101497 tlogG= -0.585153 logG= -0.686650 Density= 3.498316 ETOT(band)= -1.771367 trlgG= -2.467551 logG= -0.686650 TDE= -4.588008 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101248 tlogG= -0.588146 logG= -0.689394 Density= 3.497527 ETOT(band)= -1.774101 trlgG= -2.473134 logG= -0.689394 TDE= -4.590212 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101375 tlogG= -0.587112 logG= -0.688487 Density= 3.497924 ETOT(band)= -1.773012 trlgG= -2.471193 logG= -0.688487 TDE= -4.589498 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101384 tlogG= -0.587571 logG= -0.688955 Density= 3.497812 ETOT(band)= -1.773420 trlgG= -2.472833 logG= -0.688955 TDE= -4.590579 logGD-logG0= -0.101548 tlogG= -0.584498 logG= -0.686046 Density= 3.498221 ETOT(band)= -1.771012 trlgG= -2.468184 logG= -0.686046 TDE= -4.589168 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102603 tlogG= -0.574713 logG= -0.677316 Density= 3.500636 ETOT(band)= -1.762234 trlgG= -2.453322 logG= -0.677316 TDE= -4.584974 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.102841 tlogG= -0.573827 logG= -0.676668 logGD-logG0= -0.100947 tlogG= -0.590982 logG= -0.691928 Density= 3.496799 ETOT(band)= -1.776713 trlgG= -2.477268 logG= -0.691928 TDE= -4.591228 Density= 3.501228 ETOT(band)= -1.761076 trlgG= -2.452202 logG= -0.676668 TDE= -4.584976 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101680 tlogG= -0.582266 logG= -0.683946 Density= 3.498534 ETOT(band)= -1.769231 trlgG= -2.464594 logG= -0.683946 TDE= -4.587929 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101221 tlogG= -0.585889 logG= -0.687109 Density= 3.497523 ETOT(band)= -1.772670 trlgG= -2.468437 logG= -0.687109 TDE= -4.587798 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101145 tlogG= -0.590289 logG= -0.691434 Density= 3.497244 ETOT(band)= -1.775759 trlgG= -2.476594 logG= -0.691434 TDE= -4.591405 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101045 tlogG= -0.588257 logG= -0.689302 Density= 3.497114 ETOT(band)= -1.774643 trlgG= -2.471648 logG= -0.689302 TDE= -4.588487 logGD-logG0= -0.102371 tlogG= -0.575558 logG= -0.677929 Density= 3.500097 ETOT(band)= -1.763315 trlgG= -2.454612 logG= -0.677929 TDE= -4.585219 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102051 tlogG= -0.578653 logG= -0.680704 Density= 3.499465 ETOT(band)= -1.765989 trlgG= -2.458849 logG= -0.680704 TDE= -4.586173 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102230 tlogG= -0.577993 logG= -0.680223 Density= 3.499856 ETOT(band)= -1.765175 trlgG= -2.458002 logG= -0.680223 TDE= -4.586120 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1156.64322428799 eV TrLogG= -1610.62817318496 eV Ratio to renormalize= 1.000491812493 rho-rho_expected=-0.082583882991 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 10) Finished k-point number 11 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 47) Finished k-point number 48 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 19) Finished k-point number 20 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 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= 0.834719375047319 0.831854034525286 0.835137020152456 0.831766466400992 0.835303560108435 0.831688811847725 0.834970278861111 0.831743836832228 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101285 tlogG= -0.591410 logG= -0.692695 Density= 3.497432 ETOT(band)= -1.776345 trlgG= -2.479630 logG= -0.692695 TDE= -4.593332 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.100941 tlogG= -0.592779 logG= -0.693720 Density= 3.496738 ETOT(band)= -1.777998 trlgG= -2.480953 logG= -0.693720 TDE= -4.593073 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101445 tlogG= -0.585437 logG= -0.686882 Density= 3.498291 ETOT(band)= -1.771654 trlgG= -2.467243 logG= -0.686882 TDE= -4.587447 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101478 tlogG= -0.583229 logG= -0.684707 Density= 3.498141 ETOT(band)= -1.770370 trlgG= -2.464680 logG= -0.684707 TDE= -4.586939 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101259 tlogG= -0.587370 logG= -0.688629 Density= 3.497474 ETOT(band)= -1.773689 trlgG= -2.472059 logG= -0.688629 TDE= -4.589861 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101098 tlogG= -0.590410 logG= -0.691507 Density= 3.497062 ETOT(band)= -1.776087 trlgG= -2.476947 logG= -0.691507 TDE= -4.591539 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101427 tlogG= -0.585311 logG= -0.686738 Density= 3.498134 ETOT(band)= -1.771742 trlgG= -2.467706 logG= -0.686738 TDE= -4.587928 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102151 tlogG= -0.578164 logG= -0.680315 Density= 3.499605 ETOT(band)= -1.765557 trlgG= -2.458421 logG= -0.680315 TDE= -4.586246 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101259 tlogG= -0.588137 logG= -0.689397 Density= 3.497555 ETOT(band)= -1.774119 trlgG= -2.473157 logG= -0.689397 TDE= -4.590255 logGD-logG0= -0.101327 tlogG= -0.585532 logG= -0.686859 Density= 3.497788 ETOT(band)= -1.772235 trlgG= -2.468140 logG= -0.686859 TDE= -4.587964 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101249 tlogG= -0.589799 logG= -0.691048 Density= 3.497377 ETOT(band)= -1.775352 trlgG= -2.476507 logG= -0.691048 TDE= -4.591811 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101217 tlogG= -0.587894 logG= -0.689111 Density= 3.497700 ETOT(band)= -1.773841 trlgG= -2.471023 logG= -0.689111 TDE= -4.588524 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101097 tlogG= -0.592113 logG= -0.693210 Density= 3.497031 ETOT(band)= -1.777214 trlgG= -2.480238 logG= -0.693210 TDE= -4.593102 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101167 tlogG= -0.586178 logG= -0.687345 Density= 3.497501 ETOT(band)= -1.772972 trlgG= -2.467419 logG= -0.687345 TDE= -4.586526 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101302 tlogG= -0.587523 logG= -0.688825 Density= 3.497801 ETOT(band)= -1.773480 trlgG= -2.471262 logG= -0.688825 TDE= -4.589129 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101140 tlogG= -0.588676 logG= -0.689816 Density= 3.497339 ETOT(band)= -1.774724 trlgG= -2.473137 logG= -0.689816 TDE= -4.589643 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101522 tlogG= -0.584823 logG= -0.686344 Density= 3.498300 ETOT(band)= -1.771210 trlgG= -2.467868 logG= -0.686344 TDE= -4.588617 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101646 tlogG= -0.584312 logG= -0.685957 Density= 3.498556 ETOT(band)= -1.770617 trlgG= -2.467732 logG= -0.685957 TDE= -4.589073 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101396 tlogG= -0.587562 logG= -0.688958 Density= 3.497840 ETOT(band)= -1.773438 trlgG= -2.472855 logG= -0.688958 TDE= -4.590622 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101885 tlogG= -0.580964 logG= -0.682850 Density= 3.499067 ETOT(band)= -1.767943 trlgG= -2.462379 logG= -0.682850 TDE= -4.587238 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101026 tlogG= -0.590823 logG= -0.691849 Density= 3.497053 ETOT(band)= -1.776385 trlgG= -2.477021 logG= -0.691849 TDE= -4.591263 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101400 tlogG= -0.585682 logG= -0.687081 Density= 3.498295 ETOT(band)= -1.771837 trlgG= -2.466493 logG= -0.687081 TDE= -4.586500 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101692 tlogG= -0.582257 logG= -0.683949 Density= 3.498562 ETOT(band)= -1.769249 trlgG= -2.464617 logG= -0.683949 TDE= -4.587972 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101308 tlogG= -0.585529 logG= -0.686837 Density= 3.497672 ETOT(band)= -1.772313 trlgG= -2.468700 logG= -0.686837 TDE= -4.588453 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101157 tlogG= -0.590281 logG= -0.691437 Density= 3.497272 ETOT(band)= -1.775777 trlgG= -2.476613 logG= -0.691437 TDE= -4.591444 logGD-logG0= -0.102041 tlogG= -0.580316 logG= -0.682357 Density= 3.499434 ETOT(band)= -1.767142 trlgG= -2.461945 logG= -0.682357 TDE= -4.587591 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101560 tlogG= -0.584489 logG= -0.686049 Density= 3.498249 ETOT(band)= -1.771030 trlgG= -2.468207 logG= -0.686049 TDE= -4.589211 logGD-logG0= -0.101736 tlogG= -0.581557 logG= -0.683293 Density= 3.498759 ETOT(band)= -1.768651 trlgG= -2.462885 logG= -0.683293 TDE= -4.587053 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101232 tlogG= -0.585880 logG= -0.687112 Density= 3.497550 ETOT(band)= -1.772688 trlgG= -2.468461 logG= -0.687112 TDE= -4.587841 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101300 tlogG= -0.589691 logG= -0.690991 Density= 3.497570 ETOT(band)= -1.775079 trlgG= -2.476161 logG= -0.690991 TDE= -4.591676 logGD-logG0= -0.102383 tlogG= -0.575549 logG= -0.677932 Density= 3.500125 ETOT(band)= -1.763334 trlgG= -2.454638 logG= -0.677932 TDE= -4.585264 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101576 tlogG= -0.582763 logG= -0.684339 Density= 3.498320 ETOT(band)= -1.769849 trlgG= -2.464755 logG= -0.684339 TDE= -4.587525 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102853 tlogG= -0.573818 logG= -0.676671 Density= 3.501256 ETOT(band)= -1.761094 trlgG= -2.452223 logG= -0.676671 TDE= -4.585017 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101428 tlogG= -0.585025 logG= -0.686453 Density= 3.497975 ETOT(band)= -1.771667 trlgG= -2.468376 logG= -0.686453 TDE= -4.588755 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101387 tlogG= -0.587103 logG= -0.688490 Density= 3.497952 ETOT(band)= -1.773030 trlgG= -2.471216 logG= -0.688490 TDE= -4.589540 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100959 tlogG= -0.590973 logG= -0.691931 Density= 3.496827 ETOT(band)= -1.776731 trlgG= -2.477288 logG= -0.691931 TDE= -4.591268 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101975 tlogG= -0.578834 logG= -0.680810 Density= 3.499220 ETOT(band)= -1.766388 trlgG= -2.459268 logG= -0.680810 TDE= -4.586289 logGD-logG0= -0.102333 tlogG= -0.577430 logG= -0.679764 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 Density= 3.500043 ETOT(band)= -1.764628 trlgG= -2.457649 logG= -0.679764 TDE= -4.586378 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102063 tlogG= -0.578644 logG= -0.680707 Density= 3.499493 ETOT(band)= -1.766008 trlgG= -2.458875 logG= -0.680707 TDE= -4.586219 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101858 tlogG= -0.581940 logG= -0.683798 Density= 3.499118 ETOT(band)= -1.768529 trlgG= -2.463797 logG= -0.683798 TDE= -4.587748 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101155 tlogG= -0.587838 logG= -0.688993 Density= 3.497284 ETOT(band)= -1.774222 trlgG= -2.472121 logG= -0.688993 TDE= -4.589406 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102614 tlogG= -0.574704 logG= -0.677319 Density= 3.500664 ETOT(band)= -1.762252 trlgG= -2.453345 logG= -0.677319 TDE= -4.585016 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.102241 tlogG= -0.577985 logG= -0.680226 Density= 3.499884 ETOT(band)= -1.765193 trlgG= -2.458023 logG= -0.680226 TDE= -4.586162 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101750 tlogG= -0.582407 logG= -0.684157 Density= 3.498894 ETOT(band)= -1.769064 trlgG= -2.463912 logG= -0.684157 TDE= -4.587325 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102427 tlogG= -0.577260 logG= -0.679687 Density= 3.500328 ETOT(band)= -1.764278 trlgG= -2.457290 logG= -0.679687 TDE= -4.586324 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101056 tlogG= -0.588249 logG= -0.689305 Density= 3.497141 ETOT(band)= -1.774661 trlgG= -2.471671 logG= -0.689305 TDE= -4.588529 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101655 tlogG= -0.582842 logG= -0.684496 Density= 3.498736 ETOT(band)= -1.769530 trlgG= -2.463869 logG= -0.684496 TDE= -4.586815 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101508 tlogG= -0.585145 logG= -0.686653 Density= 3.498344 ETOT(band)= -1.771386 trlgG= -2.467577 logG= -0.686653 TDE= -4.588052 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 Sum of eigenvalues= -1156.65497553442 eV TrLogG= -1610.65757838268 eV Ratio to renormalize= 1.000483863055 rho-rho_expected=-0.081249679601 nargs= 1 argi=dmft2.def 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 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= 105 28) Finished k-point number 29 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 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 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834705076473522 0.831836999829191 0.835122497967484 0.831749521790960 0.835289398462650 0.831671704629752 0.834955998134414 0.831726772277450 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101319 tlogG= -0.585538 logG= -0.686856 Density= 3.497767 ETOT(band)= -1.772221 trlgG= -2.468121 logG= -0.686856 TDE= -4.587931 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101513 tlogG= -0.584829 logG= -0.686342 Density= 3.498279 ETOT(band)= -1.771196 trlgG= -2.467850 logG= -0.686342 TDE= -4.588584 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101018 tlogG= -0.590829 logG= -0.691847 Density= 3.497032 ETOT(band)= -1.776372 trlgG= -2.477005 logG= -0.691847 TDE= -4.591234 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101293 tlogG= -0.587529 logG= -0.688823 Density= 3.497780 ETOT(band)= -1.773466 trlgG= -2.471244 logG= -0.688823 TDE= -4.589097 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101470 tlogG= -0.583235 logG= -0.684704 Density= 3.498120 ETOT(band)= -1.770357 trlgG= -2.464660 logG= -0.684704 TDE= -4.586905 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101208 tlogG= -0.587900 logG= -0.689108 Density= 3.497679 ETOT(band)= -1.773828 trlgG= -2.471007 logG= -0.689108 TDE= -4.588494 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101276 tlogG= -0.591416 logG= -0.692693 Density= 3.497411 ETOT(band)= -1.776333 trlgG= -2.479619 logG= -0.692693 TDE= -4.593306 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=133 logGD-logG0= -0.101146 tlogG= -0.587844 logG= -0.688990 Density= 3.497263 ETOT(band)= -1.774208 trlgG= -2.472104 logG= -0.688990 TDE= -4.589375 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101419 tlogG= -0.585031 logG= -0.686451 Density= 3.497954 ETOT(band)= -1.771653 trlgG= -2.468358 logG= -0.686451 TDE= -4.588723 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101727 tlogG= -0.581563 logG= -0.683291 Density= 3.498738 ETOT(band)= -1.768638 trlgG= -2.462865 logG= -0.683291 TDE= -4.587019 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101436 tlogG= -0.585443 logG= -0.686879 Density= 3.498270 ETOT(band)= -1.771641 trlgG= -2.467223 logG= -0.686879 TDE= -4.587414 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101876 tlogG= -0.580971 logG= -0.682847 Density= 3.499046 ETOT(band)= -1.767929 trlgG= -2.462361 logG= -0.682847 TDE= -4.587206 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.100933 tlogG= -0.592785 logG= -0.693718 Density= 3.496717 ETOT(band)= -1.777985 trlgG= -2.480939 logG= -0.693718 TDE= -4.593043 logGD-logG0= -0.101551 tlogG= -0.584495 logG= -0.686046 Density= 3.498228 ETOT(band)= -1.771017 trlgG= -2.468189 logG= -0.686046 TDE= -4.589179 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101291 tlogG= -0.589697 logG= -0.690989 Density= 3.497548 ETOT(band)= -1.775067 trlgG= -2.476147 logG= -0.690989 TDE= -4.591648 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101299 tlogG= -0.585535 logG= -0.686834 Density= 3.497651 ETOT(band)= -1.772300 trlgG= -2.468683 logG= -0.686834 TDE= -4.588421 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101637 tlogG= -0.584318 logG= -0.685955 Density= 3.498535 ETOT(band)= -1.770604 trlgG= -2.467714 logG= -0.685955 TDE= -4.589041 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101967 tlogG= -0.578841 logG= -0.680807 Density= 3.499199 ETOT(band)= -1.766374 trlgG= -2.459248 logG= -0.680807 TDE= -4.586255 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101158 tlogG= -0.586184 logG= -0.687342 Density= 3.497480 ETOT(band)= -1.772958 trlgG= -2.467401 logG= -0.687342 TDE= -4.586494 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.100950 tlogG= -0.590979 logG= -0.691929 Density= 3.496806 ETOT(band)= -1.776718 trlgG= -2.477272 logG= -0.691929 TDE= -4.591238 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101132 tlogG= -0.588682 logG= -0.689814 Density= 3.497318 ETOT(band)= -1.774711 trlgG= -2.473120 logG= -0.689814 TDE= -4.589611 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102844 tlogG= -0.573825 logG= -0.676669 Density= 3.501234 ETOT(band)= -1.761081 trlgG= -2.452207 logG= -0.676669 TDE= -4.584986 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101568 tlogG= -0.582769 logG= -0.684336 Density= 3.498299 ETOT(band)= -1.769835 trlgG= -2.464737 logG= -0.684336 TDE= -4.587493 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102605 tlogG= -0.574711 logG= -0.677316 Density= 3.500643 ETOT(band)= -1.762238 trlgG= -2.453328 logG= -0.677316 TDE= -4.584985 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101250 tlogG= -0.587376 logG= -0.688627 Density= 3.497453 ETOT(band)= -1.773676 trlgG= -2.472042 logG= -0.688627 TDE= -4.589829 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101683 tlogG= -0.582263 logG= -0.683946 Density= 3.498541 ETOT(band)= -1.769236 trlgG= -2.464600 logG= -0.683946 TDE= -4.587940 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101391 tlogG= -0.585687 logG= -0.687078 Density= 3.498274 ETOT(band)= -1.771823 trlgG= -2.466474 logG= -0.687078 TDE= -4.586468 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102418 tlogG= -0.577266 logG= -0.679684 Density= 3.500307 ETOT(band)= -1.764265 trlgG= -2.457274 logG= -0.679684 TDE= -4.586293 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102032 tlogG= -0.580322 logG= -0.682355 Density= 3.499412 ETOT(band)= -1.767129 trlgG= -2.461928 logG= -0.682355 TDE= -4.587559 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101240 tlogG= -0.589805 logG= -0.691046 Density= 3.497355 ETOT(band)= -1.775339 trlgG= -2.476494 logG= -0.691046 TDE= -4.591783 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101089 tlogG= -0.592119 logG= -0.693208 Density= 3.497010 ETOT(band)= -1.777201 trlgG= -2.480224 logG= -0.693208 TDE= -4.593074 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101048 tlogG= -0.588255 logG= -0.689302 Density= 3.497120 ETOT(band)= -1.774647 trlgG= -2.471654 logG= -0.689302 TDE= -4.588498 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101418 tlogG= -0.585317 logG= -0.686735 Density= 3.498113 ETOT(band)= -1.771729 trlgG= -2.467687 logG= -0.686735 TDE= -4.587895 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101741 tlogG= -0.582413 logG= -0.684154 Density= 3.498873 ETOT(band)= -1.769051 trlgG= -2.463894 logG= -0.684154 TDE= -4.587293 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101387 tlogG= -0.587569 logG= -0.688956 Density= 3.497819 ETOT(band)= -1.773425 trlgG= -2.472838 logG= -0.688956 TDE= -4.590590 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101148 tlogG= -0.590287 logG= -0.691435 Density= 3.497251 ETOT(band)= -1.775764 trlgG= -2.476598 logG= -0.691435 TDE= -4.591415 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102324 tlogG= -0.577437 logG= -0.679761 Density= 3.500022 ETOT(band)= -1.764615 trlgG= -2.457633 logG= -0.679761 TDE= -4.586347 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102232 tlogG= -0.577991 logG= -0.680223 Density= 3.499863 ETOT(band)= -1.765179 trlgG= -2.458007 logG= -0.680223 TDE= -4.586131 logGD-logG0= -0.102142 tlogG= -0.578170 logG= -0.680312 Density= 3.499584 ETOT(band)= -1.765544 trlgG= -2.458404 logG= -0.680312 TDE= -4.586215 logGD-logG0= -0.101250 tlogG= -0.588144 logG= -0.689394 Density= 3.497533 ETOT(band)= -1.774106 trlgG= -2.473139 logG= -0.689394 TDE= -4.590223 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102054 tlogG= -0.578650 logG= -0.680704 Density= 3.499472 ETOT(band)= -1.765994 trlgG= -2.458855 logG= -0.680704 TDE= -4.586184 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101378 tlogG= -0.587109 logG= -0.688487 Density= 3.497931 ETOT(band)= -1.773017 trlgG= -2.471199 logG= -0.688487 TDE= -4.589508 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102374 tlogG= -0.575555 logG= -0.677929 Density= 3.500104 ETOT(band)= -1.763320 trlgG= -2.454618 logG= -0.677929 TDE= -4.585230 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101500 tlogG= -0.585151 logG= -0.686650 Density= 3.498323 ETOT(band)= -1.771372 trlgG= -2.467558 logG= -0.686650 TDE= -4.588019 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101849 tlogG= -0.581946 logG= -0.683795 Density= 3.499097 ETOT(band)= -1.768516 trlgG= -2.463779 logG= -0.683795 TDE= -4.587716 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101223 tlogG= -0.585886 logG= -0.687109 Density= 3.497530 ETOT(band)= -1.772675 trlgG= -2.468443 logG= -0.687109 TDE= -4.587809 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 logGD-logG0= -0.101646 tlogG= -0.582847 logG= -0.684493 Density= 3.498715 ETOT(band)= -1.769516 trlgG= -2.463848 logG= -0.684493 TDE= -4.586781 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101089 tlogG= -0.590416 logG= -0.691505 Density= 3.497041 ETOT(band)= -1.776074 trlgG= -2.476933 logG= -0.691505 TDE= -4.591510 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.64629277432 eV TrLogG= -1610.63524858848 eV Ratio to renormalize= 1.000489894817 rho-rho_expected=-0.082262029530 nargs= 1 argi=dmft2.def 25) Finished k-point number 26 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 104 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= 0.834723731073515 0.831857606359539 0.835141256727505 0.831770094131427 0.835307880548138 0.831692400811404 0.834974611438286 0.831747422624526 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101168 tlogG= -0.586177 logG= -0.687345 Density= 3.497506 ETOT(band)= -1.772977 trlgG= -2.467425 logG= -0.687345 TDE= -4.586536 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101287 tlogG= -0.591408 logG= -0.692695 Density= 3.497437 ETOT(band)= -1.776351 trlgG= -2.479635 logG= -0.692695 TDE= -4.593341 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101647 tlogG= -0.584310 logG= -0.685957 Density= 3.498561 ETOT(band)= -1.770622 trlgG= -2.467738 logG= -0.685957 TDE= -4.589083 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.100943 tlogG= -0.592777 logG= -0.693720 Density= 3.496743 ETOT(band)= -1.778003 trlgG= -2.480959 logG= -0.693720 TDE= -4.593082 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101304 tlogG= -0.587521 logG= -0.688826 Density= 3.497805 ETOT(band)= -1.773485 trlgG= -2.471268 logG= -0.688826 TDE= -4.589138 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101310 tlogG= -0.585527 logG= -0.686837 Density= 3.497677 ETOT(band)= -1.772318 trlgG= -2.468707 logG= -0.686837 TDE= -4.588463 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101142 tlogG= -0.588674 logG= -0.689817 Density= 3.497344 ETOT(band)= -1.774730 trlgG= -2.473143 logG= -0.689817 TDE= -4.589653 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102616 tlogG= -0.574702 logG= -0.677319 Density= 3.500669 ETOT(band)= -1.762257 trlgG= -2.453351 logG= -0.677319 TDE= -4.585026 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101402 tlogG= -0.585680 logG= -0.687081 Density= 3.498299 ETOT(band)= -1.771842 trlgG= -2.466500 logG= -0.687081 TDE= -4.586511 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101219 tlogG= -0.587892 logG= -0.689111 Density= 3.497705 ETOT(band)= -1.773847 trlgG= -2.471029 logG= -0.689111 TDE= -4.588534 logGD-logG0= -0.101562 tlogG= -0.584487 logG= -0.686049 Density= 3.498254 ETOT(band)= -1.771035 trlgG= -2.468213 logG= -0.686049 TDE= -4.589221 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102429 tlogG= -0.577258 logG= -0.679687 Density= 3.500333 ETOT(band)= -1.764284 trlgG= -2.457296 logG= -0.679687 TDE= -4.586333 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101523 tlogG= -0.584821 logG= -0.686345 Density= 3.498305 ETOT(band)= -1.771215 trlgG= -2.467874 logG= -0.686345 TDE= -4.588627 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101261 tlogG= -0.587368 logG= -0.688629 Density= 3.497479 ETOT(band)= -1.773694 trlgG= -2.472065 logG= -0.688629 TDE= -4.589870 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102385 tlogG= -0.575547 logG= -0.677932 Density= 3.500130 ETOT(band)= -1.763339 trlgG= -2.454645 logG= -0.677932 TDE= -4.585274 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101251 tlogG= -0.589797 logG= -0.691048 Density= 3.497381 ETOT(band)= -1.775358 trlgG= -2.476512 logG= -0.691048 TDE= -4.591820 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101977 tlogG= -0.578833 logG= -0.680810 Density= 3.499225 ETOT(band)= -1.766393 trlgG= -2.459275 logG= -0.680810 TDE= -4.586300 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101099 tlogG= -0.592111 logG= -0.693210 Density= 3.497036 ETOT(band)= -1.777220 trlgG= -2.480243 logG= -0.693210 TDE= -4.593111 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101429 tlogG= -0.585309 logG= -0.686738 Density= 3.498139 ETOT(band)= -1.771747 trlgG= -2.467713 logG= -0.686738 TDE= -4.587938 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101058 tlogG= -0.588247 logG= -0.689305 Density= 3.497146 ETOT(band)= -1.774666 trlgG= -2.471677 logG= -0.689305 TDE= -4.588539 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102153 tlogG= -0.578162 logG= -0.680315 Density= 3.499610 ETOT(band)= -1.765563 trlgG= -2.458427 logG= -0.680315 TDE= -4.586256 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101578 tlogG= -0.582761 logG= -0.684339 Density= 3.498325 ETOT(band)= -1.769854 trlgG= -2.464761 logG= -0.684339 TDE= -4.587535 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101887 tlogG= -0.580963 logG= -0.682850 Density= 3.499072 ETOT(band)= -1.767948 trlgG= -2.462385 logG= -0.682850 TDE= -4.587248 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101302 tlogG= -0.589689 logG= -0.690991 Density= 3.497574 ETOT(band)= -1.775085 trlgG= -2.476166 logG= -0.690991 TDE= -4.591685 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101329 tlogG= -0.585530 logG= -0.686859 Density= 3.497793 ETOT(band)= -1.772240 trlgG= -2.468147 logG= -0.686859 TDE= -4.587974 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101028 tlogG= -0.590821 logG= -0.691850 Density= 3.497057 ETOT(band)= -1.776391 trlgG= -2.477026 logG= -0.691850 TDE= -4.591273 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101158 tlogG= -0.590279 logG= -0.691437 Density= 3.497277 ETOT(band)= -1.775782 trlgG= -2.476618 logG= -0.691437 TDE= -4.591453 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101738 tlogG= -0.581555 logG= -0.683293 Density= 3.498764 ETOT(band)= -1.768657 trlgG= -2.462891 logG= -0.683293 TDE= -4.587063 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101480 tlogG= -0.583227 logG= -0.684707 Density= 3.498146 ETOT(band)= -1.770376 trlgG= -2.464687 logG= -0.684707 TDE= -4.586949 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101860 tlogG= -0.581938 logG= -0.683798 Density= 3.499123 ETOT(band)= -1.768534 trlgG= -2.463803 logG= -0.683798 TDE= -4.587758 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102043 tlogG= -0.580314 logG= -0.682357 Density= 3.499438 ETOT(band)= -1.767147 trlgG= -2.461951 logG= -0.682357 TDE= -4.587601 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.101752 tlogG= -0.582406 logG= -0.684157 Density= 3.498899 ETOT(band)= -1.769070 trlgG= -2.463918 logG= -0.684157 TDE= -4.587335 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102335 tlogG= -0.577429 logG= -0.679764 Density= 3.500048 ETOT(band)= -1.764634 trlgG= -2.457655 logG= -0.679764 TDE= -4.586387 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101234 tlogG= -0.585878 logG= -0.687112 Density= 3.497555 ETOT(band)= -1.772694 trlgG= -2.468468 logG= -0.687112 TDE= -4.587851 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.100961 tlogG= -0.590971 logG= -0.691931 Density= 3.496832 ETOT(band)= -1.776736 trlgG= -2.477294 logG= -0.691931 TDE= -4.591277 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101657 tlogG= -0.582840 logG= -0.684497 Density= 3.498741 ETOT(band)= -1.769536 trlgG= -2.463875 logG= -0.684497 TDE= -4.586826 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102065 tlogG= -0.578643 logG= -0.680707 Density= 3.499498 ETOT(band)= -1.766013 trlgG= -2.458882 logG= -0.680707 TDE= -4.586229 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.102243 tlogG= -0.577983 logG= -0.680226 Density= 3.499889 ETOT(band)= -1.765198 trlgG= -2.458029 logG= -0.680226 TDE= -4.586171 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101398 tlogG= -0.587560 logG= -0.688958 Density= 3.497845 ETOT(band)= -1.773443 trlgG= -2.472861 logG= -0.688958 TDE= -4.590631 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101389 tlogG= -0.587101 logG= -0.688490 Density= 3.497957 ETOT(band)= -1.773036 trlgG= -2.471222 logG= -0.688490 TDE= -4.589549 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101447 tlogG= -0.585435 logG= -0.686882 Density= 3.498296 ETOT(band)= -1.771660 trlgG= -2.467250 logG= -0.686882 TDE= -4.587458 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101430 tlogG= -0.585023 logG= -0.686453 Density= 3.497980 ETOT(band)= -1.771672 trlgG= -2.468382 logG= -0.686453 TDE= -4.588765 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101694 tlogG= -0.582255 logG= -0.683949 Density= 3.498567 ETOT(band)= -1.769255 trlgG= -2.464624 logG= -0.683949 TDE= -4.587982 logGD-logG0= -0.101261 tlogG= -0.588136 logG= -0.689397 Density= 3.497559 ETOT(band)= -1.774124 trlgG= -2.473163 logG= -0.689397 TDE= -4.590265 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102855 tlogG= -0.573816 logG= -0.676671 Density= 3.501261 ETOT(band)= -1.761099 trlgG= -2.452229 logG= -0.676671 TDE= -4.585027 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101157 tlogG= -0.587836 logG= -0.688993 Density= 3.497289 ETOT(band)= -1.774227 trlgG= -2.472128 logG= -0.688993 TDE= -4.589416 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101510 tlogG= -0.585143 logG= -0.686653 Density= 3.498349 ETOT(band)= -1.771391 trlgG= -2.467583 logG= -0.686653 TDE= -4.588062 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101100 tlogG= -0.590408 logG= -0.691507 Density= 3.497067 ETOT(band)= -1.776093 trlgG= -2.476952 logG= -0.691507 TDE= -4.591548 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 Sum of eigenvalues= -1156.65852842550 eV TrLogG= -1610.66404279627 eV Ratio to renormalize= 1.000482493559 rho-rho_expected=-0.081019826426 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 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= 105 17) Finished k-point number 18 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834722245187540 0.831855928845732 0.835139745034584 0.831768428063109 0.835306411350780 0.831690717355668 0.834973130624649 0.831745744509315 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101886 tlogG= -0.580962 logG= -0.682848 Density= 3.499070 ETOT(band)= -1.767945 trlgG= -2.462380 logG= -0.682848 TDE= -4.587242 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101250 tlogG= -0.589796 logG= -0.691046 Density= 3.497379 ETOT(band)= -1.775354 trlgG= -2.476507 logG= -0.691046 TDE= -4.591816 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100942 tlogG= -0.592776 logG= -0.693718 Density= 3.496740 ETOT(band)= -1.778000 trlgG= -2.480954 logG= -0.693718 TDE= -4.593078 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101737 tlogG= -0.581554 logG= -0.683291 Density= 3.498761 ETOT(band)= -1.768654 trlgG= -2.462886 logG= -0.683291 TDE= -4.587058 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102334 tlogG= -0.577428 logG= -0.679762 Density= 3.500046 ETOT(band)= -1.764631 trlgG= -2.457650 logG= -0.679762 TDE= -4.586382 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101479 tlogG= -0.583226 logG= -0.684706 Density= 3.498144 ETOT(band)= -1.770373 trlgG= -2.464681 logG= -0.684706 TDE= -4.586944 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101309 tlogG= -0.585526 logG= -0.686835 Density= 3.497674 ETOT(band)= -1.772315 trlgG= -2.468701 logG= -0.686835 TDE= -4.588457 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101429 tlogG= -0.585022 logG= -0.686451 Density= 3.497978 ETOT(band)= -1.771669 trlgG= -2.468377 logG= -0.686451 TDE= -4.588760 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101328 tlogG= -0.585529 logG= -0.686857 Density= 3.497791 ETOT(band)= -1.772237 trlgG= -2.468141 logG= -0.686857 TDE= -4.587969 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101523 tlogG= -0.584820 logG= -0.686343 Density= 3.498303 ETOT(band)= -1.771212 trlgG= -2.467869 logG= -0.686343 TDE= -4.588621 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101218 tlogG= -0.587891 logG= -0.689109 Density= 3.497702 ETOT(band)= -1.773843 trlgG= -2.471024 logG= -0.689109 TDE= -4.588529 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101286 tlogG= -0.591407 logG= -0.692693 Density= 3.497435 ETOT(band)= -1.776347 trlgG= -2.479631 logG= -0.692693 TDE= -4.593336 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.102854 tlogG= -0.573815 logG= -0.676669 Density= 3.501258 ETOT(band)= -1.761096 trlgG= -2.452224 logG= -0.676669 TDE= -4.585022 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.101027 tlogG= -0.590820 logG= -0.691848 Density= 3.497055 ETOT(band)= -1.776387 trlgG= -2.477021 logG= -0.691848 TDE= -4.591268 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101303 tlogG= -0.587520 logG= -0.688824 Density= 3.497803 ETOT(band)= -1.773482 trlgG= -2.471263 logG= -0.688824 TDE= -4.589133 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101167 tlogG= -0.586176 logG= -0.687343 Density= 3.497504 ETOT(band)= -1.772974 trlgG= -2.467420 logG= -0.687343 TDE= -4.586531 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101577 tlogG= -0.582760 logG= -0.684337 Density= 3.498323 ETOT(band)= -1.769851 trlgG= -2.464756 logG= -0.684337 TDE= -4.587530 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101260 tlogG= -0.588135 logG= -0.689395 Density= 3.497557 ETOT(band)= -1.774121 trlgG= -2.473157 logG= -0.689395 TDE= -4.590260 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.102615 tlogG= -0.574701 logG= -0.677317 Density= 3.500667 ETOT(band)= -1.762254 trlgG= -2.453346 logG= -0.677317 TDE= -4.585021 logGD-logG0= -0.101428 tlogG= -0.585308 logG= -0.686736 Density= 3.498137 ETOT(band)= -1.771744 trlgG= -2.467707 logG= -0.686736 TDE= -4.587933 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101397 tlogG= -0.587559 logG= -0.688956 Density= 3.497843 ETOT(band)= -1.773440 trlgG= -2.472856 logG= -0.688956 TDE= -4.590626 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102152 tlogG= -0.578161 logG= -0.680313 Density= 3.499608 ETOT(band)= -1.765560 trlgG= -2.458421 logG= -0.680313 TDE= -4.586251 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101401 tlogG= -0.585679 logG= -0.687079 Density= 3.498297 ETOT(band)= -1.771839 trlgG= -2.466494 logG= -0.687079 TDE= -4.586506 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101057 tlogG= -0.588246 logG= -0.689303 Density= 3.497144 ETOT(band)= -1.774663 trlgG= -2.471672 logG= -0.689303 TDE= -4.588534 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101976 tlogG= -0.578832 logG= -0.680808 Density= 3.499222 ETOT(band)= -1.766390 trlgG= -2.459269 logG= -0.680808 TDE= -4.586294 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101260 tlogG= -0.587367 logG= -0.688627 Density= 3.497477 ETOT(band)= -1.773691 trlgG= -2.472060 logG= -0.688627 TDE= -4.589865 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101158 tlogG= -0.590278 logG= -0.691435 Density= 3.497274 ETOT(band)= -1.775779 trlgG= -2.476613 logG= -0.691435 TDE= -4.591448 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101509 tlogG= -0.585142 logG= -0.686651 Density= 3.498346 ETOT(band)= -1.771388 trlgG= -2.467578 logG= -0.686651 TDE= -4.588057 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101141 tlogG= -0.588673 logG= -0.689815 Density= 3.497342 ETOT(band)= -1.774727 trlgG= -2.473138 logG= -0.689815 TDE= -4.589648 logGD-logG0= -0.101388 tlogG= -0.587100 logG= -0.688488 Density= 3.497954 ETOT(band)= -1.773032 trlgG= -2.471217 logG= -0.688488 TDE= -4.589544 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101647 tlogG= -0.584309 logG= -0.685955 Density= 3.498558 ETOT(band)= -1.770619 trlgG= -2.467733 logG= -0.685955 TDE= -4.589078 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102242 tlogG= -0.577982 logG= -0.680224 Density= 3.499886 ETOT(band)= -1.765195 trlgG= -2.458024 logG= -0.680224 TDE= -4.586166 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.101446 tlogG= -0.585434 logG= -0.686880 Density= 3.498294 ETOT(band)= -1.771657 trlgG= -2.467244 logG= -0.686880 TDE= -4.587452 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101561 tlogG= -0.584486 logG= -0.686047 Density= 3.498252 ETOT(band)= -1.771032 trlgG= -2.468208 logG= -0.686047 TDE= -4.589215 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101751 tlogG= -0.582405 logG= -0.684155 Density= 3.498897 ETOT(band)= -1.769067 trlgG= -2.463913 logG= -0.684155 TDE= -4.587330 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101693 tlogG= -0.582254 logG= -0.683947 Density= 3.498565 ETOT(band)= -1.769252 trlgG= -2.464618 logG= -0.683947 TDE= -4.587977 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102064 tlogG= -0.578642 logG= -0.680705 Density= 3.499495 ETOT(band)= -1.766010 trlgG= -2.458876 logG= -0.680705 TDE= -4.586224 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102042 tlogG= -0.580313 logG= -0.682355 Density= 3.499436 ETOT(band)= -1.767144 trlgG= -2.461946 logG= -0.682355 TDE= -4.587595 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101656 tlogG= -0.582839 logG= -0.684495 Density= 3.498739 ETOT(band)= -1.769532 trlgG= -2.463870 logG= -0.684495 TDE= -4.586820 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.100960 tlogG= -0.590970 logG= -0.691930 Density= 3.496830 ETOT(band)= -1.776733 trlgG= -2.477289 logG= -0.691930 TDE= -4.591272 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102428 tlogG= -0.577257 logG= -0.679685 Density= 3.500331 ETOT(band)= -1.764280 trlgG= -2.457291 logG= -0.679685 TDE= -4.586328 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102384 tlogG= -0.575546 logG= -0.677930 Density= 3.500128 ETOT(band)= -1.763336 trlgG= -2.454639 logG= -0.677930 TDE= -4.585269 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101859 tlogG= -0.581937 logG= -0.683796 Density= 3.499120 ETOT(band)= -1.768531 trlgG= -2.463798 logG= -0.683796 TDE= -4.587753 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101099 tlogG= -0.590407 logG= -0.691506 Density= 3.497064 ETOT(band)= -1.776090 trlgG= -2.476947 logG= -0.691506 TDE= -4.591544 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101156 tlogG= -0.587835 logG= -0.688991 Density= 3.497286 ETOT(band)= -1.774224 trlgG= -2.472122 logG= -0.688991 TDE= -4.589411 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101098 tlogG= -0.592110 logG= -0.693208 Density= 3.497033 ETOT(band)= -1.777216 trlgG= -2.480238 logG= -0.693208 TDE= -4.593107 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101301 tlogG= -0.589688 logG= -0.690989 Density= 3.497572 ETOT(band)= -1.775082 trlgG= -2.476161 logG= -0.690989 TDE= -4.591681 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101233 tlogG= -0.585877 logG= -0.687110 Density= 3.497553 ETOT(band)= -1.772691 trlgG= -2.468462 logG= -0.687110 TDE= -4.587846 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 Sum of eigenvalues= -1156.65648475325 eV TrLogG= -1610.65943516738 eV Ratio to renormalize= 1.000483142748 rho-rho_expected=-0.081128784800 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 38) Finished k-point number 39 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 39) Finished k-point number 40 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.834727022705738 0.831860707980949 0.835144522093753 0.831773209383456 0.835311147537603 0.831695517964411 0.834977892872564 0.831750537016362 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101220 tlogG= -0.587889 logG= -0.689109 Density= 3.497708 ETOT(band)= -1.773848 trlgG= -2.471029 logG= -0.689109 TDE= -4.588539 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101252 tlogG= -0.589793 logG= -0.691046 Density= 3.497385 ETOT(band)= -1.775359 trlgG= -2.476511 logG= -0.691046 TDE= -4.591825 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101170 tlogG= -0.586173 logG= -0.687343 Density= 3.497510 ETOT(band)= -1.772979 trlgG= -2.467426 logG= -0.687343 TDE= -4.586541 logGD-logG0= -0.102154 tlogG= -0.578159 logG= -0.680313 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 Density= 3.499614 ETOT(band)= -1.765564 trlgG= -2.458426 logG= -0.680313 TDE= -4.586261 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101482 tlogG= -0.583224 logG= -0.684706 Density= 3.498150 ETOT(band)= -1.770378 trlgG= -2.464687 logG= -0.684706 TDE= -4.586954 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101740 tlogG= -0.581552 logG= -0.683292 Density= 3.498767 ETOT(band)= -1.768658 trlgG= -2.462892 logG= -0.683292 TDE= -4.587069 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101030 tlogG= -0.590818 logG= -0.691848 Density= 3.497061 ETOT(band)= -1.776392 trlgG= -2.477026 logG= -0.691848 TDE= -4.591278 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=138 logGD-logG0= -0.101236 tlogG= -0.585875 logG= -0.687111 Density= 3.497559 ETOT(band)= -1.772695 trlgG= -2.468468 logG= -0.687111 TDE= -4.587856 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101525 tlogG= -0.584818 logG= -0.686343 Density= 3.498309 ETOT(band)= -1.771217 trlgG= -2.467874 logG= -0.686343 TDE= -4.588632 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101144 tlogG= -0.588671 logG= -0.689815 Density= 3.497348 ETOT(band)= -1.774731 trlgG= -2.473143 logG= -0.689815 TDE= -4.589658 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101431 tlogG= -0.585306 logG= -0.686737 Density= 3.498143 ETOT(band)= -1.771749 trlgG= -2.467713 logG= -0.686737 TDE= -4.587943 logGD-logG0= -0.101060 tlogG= -0.588244 logG= -0.689303 Density= 3.497150 ETOT(band)= -1.774668 trlgG= -2.471677 logG= -0.689303 TDE= -4.588544 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.100945 tlogG= -0.592773 logG= -0.693718 Density= 3.496746 ETOT(band)= -1.778005 trlgG= -2.480959 logG= -0.693718 TDE= -4.593087 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.100962 tlogG= -0.590967 logG= -0.691930 Density= 3.496836 ETOT(band)= -1.776738 trlgG= -2.477293 logG= -0.691930 TDE= -4.591282 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101312 tlogG= -0.585523 logG= -0.686835 Density= 3.497680 ETOT(band)= -1.772320 trlgG= -2.468707 logG= -0.686835 TDE= -4.588468 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101306 tlogG= -0.587518 logG= -0.688824 Density= 3.497809 ETOT(band)= -1.773487 trlgG= -2.471268 logG= -0.688824 TDE= -4.589143 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101512 tlogG= -0.585140 logG= -0.686651 Density= 3.498353 ETOT(band)= -1.771393 trlgG= -2.467584 logG= -0.686651 TDE= -4.588067 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101158 tlogG= -0.587832 logG= -0.688991 Density= 3.497292 ETOT(band)= -1.774229 trlgG= -2.472128 logG= -0.688991 TDE= -4.589421 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101861 tlogG= -0.581935 logG= -0.683796 Density= 3.499126 ETOT(band)= -1.768536 trlgG= -2.463803 logG= -0.683796 TDE= -4.587763 logGD-logG0= -0.101979 tlogG= -0.578829 logG= -0.680808 Density= 3.499228 ETOT(band)= -1.766395 trlgG= -2.459275 logG= -0.680808 TDE= -4.586305 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101263 tlogG= -0.587365 logG= -0.688627 Density= 3.497483 ETOT(band)= -1.773696 trlgG= -2.472065 logG= -0.688627 TDE= -4.589875 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=133 logGD-logG0= -0.102618 tlogG= -0.574699 logG= -0.677317 Density= 3.500673 ETOT(band)= -1.762259 trlgG= -2.453351 logG= -0.677317 TDE= -4.585031 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101289 tlogG= -0.591404 logG= -0.692693 Density= 3.497441 ETOT(band)= -1.776352 trlgG= -2.479634 logG= -0.692693 TDE= -4.593345 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101391 tlogG= -0.587098 logG= -0.688488 Density= 3.497960 ETOT(band)= -1.773037 trlgG= -2.471222 logG= -0.688488 TDE= -4.589554 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101160 tlogG= -0.590275 logG= -0.691435 Density= 3.497281 ETOT(band)= -1.775784 trlgG= -2.476618 logG= -0.691435 TDE= -4.591458 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101304 tlogG= -0.589685 logG= -0.690989 Density= 3.497578 ETOT(band)= -1.775086 trlgG= -2.476165 logG= -0.690989 TDE= -4.591690 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101889 tlogG= -0.580959 logG= -0.682848 Density= 3.499076 ETOT(band)= -1.767950 trlgG= -2.462385 logG= -0.682848 TDE= -4.587253 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101331 tlogG= -0.585526 logG= -0.686857 Density= 3.497797 ETOT(band)= -1.772242 trlgG= -2.468147 logG= -0.686857 TDE= -4.587979 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102430 tlogG= -0.577255 logG= -0.679685 Density= 3.500337 ETOT(band)= -1.764285 trlgG= -2.457296 logG= -0.679685 TDE= -4.586338 logGD-logG0= -0.102386 tlogG= -0.575544 logG= -0.677930 Density= 3.500134 ETOT(band)= -1.763341 trlgG= -2.454645 logG= -0.677930 TDE= -4.585280 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.101695 tlogG= -0.582252 logG= -0.683947 Density= 3.498571 ETOT(band)= -1.769256 trlgG= -2.464624 logG= -0.683947 TDE= -4.587987 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101580 tlogG= -0.582758 logG= -0.684337 Density= 3.498329 ETOT(band)= -1.769856 trlgG= -2.464761 logG= -0.684337 TDE= -4.587540 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.102045 tlogG= -0.580311 logG= -0.682356 Density= 3.499442 ETOT(band)= -1.767149 trlgG= -2.461951 logG= -0.682356 TDE= -4.587605 logGD-logG0= -0.101753 tlogG= -0.582402 logG= -0.684156 Density= 3.498903 ETOT(band)= -1.769071 trlgG= -2.463918 logG= -0.684156 TDE= -4.587340 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101101 tlogG= -0.590404 logG= -0.691505 Density= 3.497070 ETOT(band)= -1.776094 trlgG= -2.476952 logG= -0.691505 TDE= -4.591553 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101101 tlogG= -0.592107 logG= -0.693208 Density= 3.497039 ETOT(band)= -1.777221 trlgG= -2.480242 logG= -0.693208 TDE= -4.593116 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101432 tlogG= -0.585020 logG= -0.686452 Density= 3.497984 ETOT(band)= -1.771674 trlgG= -2.468383 logG= -0.686452 TDE= -4.588770 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101649 tlogG= -0.584306 logG= -0.685956 Density= 3.498564 ETOT(band)= -1.770624 trlgG= -2.467738 logG= -0.685956 TDE= -4.589088 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.102337 tlogG= -0.577425 logG= -0.679762 Density= 3.500052 ETOT(band)= -1.764635 trlgG= -2.457655 logG= -0.679762 TDE= -4.586392 logGD-logG0= -0.101448 tlogG= -0.585432 logG= -0.686880 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 Density= 3.498300 ETOT(band)= -1.771661 trlgG= -2.467250 logG= -0.686880 TDE= -4.587463 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101563 tlogG= -0.584483 logG= -0.686047 Density= 3.498258 ETOT(band)= -1.771037 trlgG= -2.468213 logG= -0.686047 TDE= -4.589226 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102066 tlogG= -0.578639 logG= -0.680705 Density= 3.499501 ETOT(band)= -1.766015 trlgG= -2.458882 logG= -0.680705 TDE= -4.586234 logGD-logG0= -0.101263 tlogG= -0.588132 logG= -0.689395 Density= 3.497563 ETOT(band)= -1.774126 trlgG= -2.473163 logG= -0.689395 TDE= -4.590270 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101658 tlogG= -0.582836 logG= -0.684495 Density= 3.498745 ETOT(band)= -1.769537 trlgG= -2.463876 logG= -0.684495 TDE= -4.586831 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.102857 tlogG= -0.573813 logG= -0.676669 Density= 3.501265 ETOT(band)= -1.761101 trlgG= -2.452229 logG= -0.676669 TDE= -4.585031 logGD-logG0= -0.101399 tlogG= -0.587557 logG= -0.688956 Density= 3.497849 ETOT(band)= -1.773445 trlgG= -2.472861 logG= -0.688956 TDE= -4.590636 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101403 tlogG= -0.585676 logG= -0.687080 Density= 3.498303 ETOT(band)= -1.771844 trlgG= -2.466500 logG= -0.687080 TDE= -4.586516 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102245 tlogG= -0.577979 logG= -0.680224 Density= 3.499893 ETOT(band)= -1.765200 trlgG= -2.458029 logG= -0.680224 TDE= -4.586176 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1156.65951508907 eV TrLogG= -1610.66602963662 eV Ratio to renormalize= 1.000481399428 rho-rho_expected=-0.080836189412 nargs= 1 argi=dmft2.def 42) Finished k-point number 43 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 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= 105 14) Finished k-point number 15 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 40) Finished k-point number 41 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= 0.834720773246252 0.831854438075003 0.835138286155505 0.831766929906401 0.835304949196696 0.831689218429676 0.834971661118924 0.831744246462551 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.101522 tlogG= -0.584823 logG= -0.686345 Density= 3.498301 ETOT(band)= -1.771213 trlgG= -2.467871 logG= -0.686345 TDE= -4.588620 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101886 tlogG= -0.580964 logG= -0.682850 Density= 3.499068 ETOT(band)= -1.767946 trlgG= -2.462382 logG= -0.682850 TDE= -4.587241 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101141 tlogG= -0.588676 logG= -0.689817 Density= 3.497340 ETOT(band)= -1.774727 trlgG= -2.473141 logG= -0.689817 TDE= -4.589647 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101736 tlogG= -0.581557 logG= -0.683293 Density= 3.498760 ETOT(band)= -1.768654 trlgG= -2.462888 logG= -0.683293 TDE= -4.587057 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101249 tlogG= -0.589799 logG= -0.691048 Density= 3.497377 ETOT(band)= -1.775355 trlgG= -2.476510 logG= -0.691048 TDE= -4.591815 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101027 tlogG= -0.590823 logG= -0.691850 Density= 3.497054 ETOT(band)= -1.776388 trlgG= -2.477024 logG= -0.691850 TDE= -4.591267 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101428 tlogG= -0.585311 logG= -0.686738 Density= 3.498135 ETOT(band)= -1.771745 trlgG= -2.467710 logG= -0.686738 TDE= -4.587932 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.102151 tlogG= -0.578164 logG= -0.680315 Density= 3.499606 ETOT(band)= -1.765560 trlgG= -2.458424 logG= -0.680315 TDE= -4.586250 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.101167 tlogG= -0.586178 logG= -0.687345 Density= 3.497502 ETOT(band)= -1.772975 trlgG= -2.467422 logG= -0.687345 TDE= -4.586530 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101155 tlogG= -0.587838 logG= -0.688993 Density= 3.497285 ETOT(band)= -1.774224 trlgG= -2.472125 logG= -0.688993 TDE= -4.589410 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101303 tlogG= -0.587523 logG= -0.688826 Density= 3.497801 ETOT(band)= -1.773483 trlgG= -2.471265 logG= -0.688826 TDE= -4.589132 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.100942 tlogG= -0.592778 logG= -0.693720 Density= 3.496739 ETOT(band)= -1.778001 trlgG= -2.480957 logG= -0.693720 TDE= -4.593077 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.102042 tlogG= -0.580316 logG= -0.682357 Density= 3.499434 ETOT(band)= -1.767145 trlgG= -2.461948 logG= -0.682357 TDE= -4.587594 logGD-logG0= -0.101309 tlogG= -0.585529 logG= -0.686837 Density= 3.497673 ETOT(band)= -1.772316 trlgG= -2.468704 logG= -0.686837 TDE= -4.588456 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101445 tlogG= -0.585437 logG= -0.686882 Density= 3.498292 ETOT(band)= -1.771657 trlgG= -2.467246 logG= -0.686882 TDE= -4.587451 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101286 tlogG= -0.591409 logG= -0.692695 Density= 3.497433 ETOT(band)= -1.776348 trlgG= -2.479633 logG= -0.692695 TDE= -4.593336 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101479 tlogG= -0.583229 logG= -0.684708 Density= 3.498142 ETOT(band)= -1.770373 trlgG= -2.464683 logG= -0.684708 TDE= -4.586942 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101328 tlogG= -0.585531 logG= -0.686859 Density= 3.497789 ETOT(band)= -1.772237 trlgG= -2.468144 logG= -0.686859 TDE= -4.587968 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101396 tlogG= -0.587562 logG= -0.688958 Density= 3.497841 ETOT(band)= -1.773441 trlgG= -2.472859 logG= -0.688958 TDE= -4.590625 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102334 tlogG= -0.577430 logG= -0.679764 Density= 3.500044 ETOT(band)= -1.764631 trlgG= -2.457653 logG= -0.679764 TDE= -4.586381 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101217 tlogG= -0.587894 logG= -0.689111 Density= 3.497701 ETOT(band)= -1.773844 trlgG= -2.471027 logG= -0.689111 TDE= -4.588528 logGD-logG0= -0.101858 tlogG= -0.581940 logG= -0.683798 Density= 3.499119 ETOT(band)= -1.768532 trlgG= -2.463800 logG= -0.683798 TDE= -4.587752 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101976 tlogG= -0.578834 logG= -0.680810 Density= 3.499221 ETOT(band)= -1.766391 trlgG= -2.459271 logG= -0.680810 TDE= -4.586293 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.102853 tlogG= -0.573818 logG= -0.676671 Density= 3.501257 ETOT(band)= -1.761097 trlgG= -2.452227 logG= -0.676671 TDE= -4.585021 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101259 tlogG= -0.587370 logG= -0.688629 Density= 3.497475 ETOT(band)= -1.773692 trlgG= -2.472062 logG= -0.688629 TDE= -4.589864 37) Finished k-point 38 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102427 tlogG= -0.577260 logG= -0.679687 Density= 3.500329 ETOT(band)= -1.764281 trlgG= -2.457293 logG= -0.679687 TDE= -4.586328 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101098 tlogG= -0.592113 logG= -0.693210 Density= 3.497032 ETOT(band)= -1.777217 trlgG= -2.480241 logG= -0.693210 TDE= -4.593106 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.102615 tlogG= -0.574704 logG= -0.677319 Density= 3.500665 ETOT(band)= -1.762255 trlgG= -2.453348 logG= -0.677319 TDE= -4.585020 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.101387 tlogG= -0.587103 logG= -0.688490 Density= 3.497953 ETOT(band)= -1.773033 trlgG= -2.471219 logG= -0.688490 TDE= -4.589543 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101400 tlogG= -0.585681 logG= -0.687081 Density= 3.498295 ETOT(band)= -1.771839 trlgG= -2.466496 logG= -0.687081 TDE= -4.586504 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102242 tlogG= -0.577985 logG= -0.680226 Density= 3.499885 ETOT(band)= -1.765196 trlgG= -2.458027 logG= -0.680226 TDE= -4.586165 logGD-logG0= -0.101259 tlogG= -0.588137 logG= -0.689397 Density= 3.497555 ETOT(band)= -1.774122 trlgG= -2.473160 logG= -0.689397 TDE= -4.590259 logGD-logG0= -0.100959 tlogG= -0.590973 logG= -0.691931 Density= 3.496828 ETOT(band)= -1.776734 trlgG= -2.477291 logG= -0.691931 TDE= -4.591271 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.101232 tlogG= -0.585880 logG= -0.687112 Density= 3.497551 ETOT(band)= -1.772691 trlgG= -2.468465 logG= -0.687112 TDE= -4.587845 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.101157 tlogG= -0.590280 logG= -0.691437 Density= 3.497273 ETOT(band)= -1.775780 trlgG= -2.476616 logG= -0.691437 TDE= -4.591448 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101098 tlogG= -0.590410 logG= -0.691508 Density= 3.497063 ETOT(band)= -1.776090 trlgG= -2.476950 logG= -0.691508 TDE= -4.591543 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 logGD-logG0= -0.101577 tlogG= -0.582763 logG= -0.684339 Density= 3.498321 ETOT(band)= -1.769851 trlgG= -2.464758 logG= -0.684339 TDE= -4.587529 logGD-logG0= -0.102063 tlogG= -0.578644 logG= -0.680707 Density= 3.499494 ETOT(band)= -1.766011 trlgG= -2.458879 logG= -0.680707 TDE= -4.586222 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101560 tlogG= -0.584489 logG= -0.686049 Density= 3.498250 ETOT(band)= -1.771033 trlgG= -2.468210 logG= -0.686049 TDE= -4.589214 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101655 tlogG= -0.582841 logG= -0.684497 Density= 3.498737 ETOT(band)= -1.769533 trlgG= -2.463872 logG= -0.684497 TDE= -4.586819 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.101750 tlogG= -0.582407 logG= -0.684157 Density= 3.498895 ETOT(band)= -1.769067 trlgG= -2.463915 logG= -0.684157 TDE= -4.587329 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101509 tlogG= -0.585145 logG= -0.686653 Density= 3.498345 ETOT(band)= -1.771388 trlgG= -2.467580 logG= -0.686653 TDE= -4.588056 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.101057 tlogG= -0.588249 logG= -0.689305 Density= 3.497142 ETOT(band)= -1.774664 trlgG= -2.471674 logG= -0.689305 TDE= -4.588533 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102383 tlogG= -0.575549 logG= -0.677932 Density= 3.500126 ETOT(band)= -1.763337 trlgG= -2.454641 logG= -0.677932 TDE= -4.585268 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101646 tlogG= -0.584312 logG= -0.685957 Density= 3.498557 ETOT(band)= -1.770620 trlgG= -2.467735 logG= -0.685957 TDE= -4.589077 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101428 tlogG= -0.585025 logG= -0.686453 Density= 3.497976 ETOT(band)= -1.771669 trlgG= -2.468380 logG= -0.686453 TDE= -4.588759 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101692 tlogG= -0.582257 logG= -0.683949 Density= 3.498563 ETOT(band)= -1.769252 trlgG= -2.464621 logG= -0.683949 TDE= -4.587976 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101301 tlogG= -0.589691 logG= -0.690991 Density= 3.497570 ETOT(band)= -1.775082 trlgG= -2.476164 logG= -0.690991 TDE= -4.591680 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 Sum of eigenvalues= -1156.65686246225 eV TrLogG= -1610.66010907147 eV Ratio to renormalize= 1.000483629505 rho-rho_expected=-0.081210481038 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 105 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 33) Finished k-point number 34 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 104 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 38) Finished k-point number 39 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 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= 0.834785544151325 0.831919418213509 0.835202541262823 0.831832176576352 0.835369179268976 0.831754462263405 0.835036323112618 0.831809370893641 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.100976 tlogG= -0.592743 logG= -0.693719 Density= 3.496821 ETOT(band)= -1.778062 trlgG= -2.481019 logG= -0.693719 TDE= -4.593207 47) Finished k-point 48 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101061 tlogG= -0.590788 logG= -0.691849 Density= 3.497136 ETOT(band)= -1.776451 trlgG= -2.477087 logG= -0.691849 TDE= -4.591398 35) Finished k-point 36 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 logGD-logG0= -0.101175 tlogG= -0.588642 logG= -0.689816 Density= 3.497422 ETOT(band)= -1.774791 trlgG= -2.473212 logG= -0.689816 TDE= -4.589784 34) Finished k-point 35 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101513 tlogG= -0.583196 logG= -0.684708 Density= 3.498224 ETOT(band)= -1.770438 trlgG= -2.464764 logG= -0.684708 TDE= -4.587088 32) Finished k-point 33 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.101920 tlogG= -0.580930 logG= -0.682850 Density= 3.499151 ETOT(band)= -1.768009 trlgG= -2.462453 logG= -0.682850 TDE= -4.587379 logGD-logG0= -0.102368 tlogG= -0.577395 logG= -0.679764 Density= 3.500127 ETOT(band)= -1.764694 trlgG= -2.457719 logG= -0.679764 TDE= -4.586515 12) Finished k-point 13 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=136 17) Finished k-point 18 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101336 tlogG= -0.587489 logG= -0.688826 Density= 3.497884 ETOT(band)= -1.773546 trlgG= -2.471336 logG= -0.688826 TDE= -4.589269 19) Finished k-point 20 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101320 tlogG= -0.591373 logG= -0.692693 Density= 3.497517 ETOT(band)= -1.776409 trlgG= -2.479681 logG= -0.692693 TDE= -4.593453 39) Finished k-point 40 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=135 logGD-logG0= -0.101362 tlogG= -0.585498 logG= -0.686859 Density= 3.497871 ETOT(band)= -1.772302 trlgG= -2.468221 logG= -0.686859 TDE= -4.588111 33) Finished k-point 34 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 logGD-logG0= -0.101283 tlogG= -0.589763 logG= -0.691046 Density= 3.497461 ETOT(band)= -1.775417 trlgG= -2.476564 logG= -0.691046 TDE= -4.591937 logGD-logG0= -0.100993 tlogG= -0.590938 logG= -0.691930 Density= 3.496910 ETOT(band)= -1.776797 trlgG= -2.477355 logG= -0.691930 TDE= -4.591402 46) Finished k-point 47 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=148 DM_nemaxx=137 38) Finished k-point 39 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101293 tlogG= -0.587336 logG= -0.688629 Density= 3.497558 ETOT(band)= -1.773755 trlgG= -2.472133 logG= -0.688629 TDE= -4.590002 37) Finished k-point 38 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 logGD-logG0= -0.102010 tlogG= -0.578801 logG= -0.680811 Density= 3.499303 ETOT(band)= -1.766455 trlgG= -2.459352 logG= -0.680811 TDE= -4.586440 20) Finished k-point 21 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=137 logGD-logG0= -0.101342 tlogG= -0.585495 logG= -0.686837 Density= 3.497755 ETOT(band)= -1.772380 trlgG= -2.468777 logG= -0.686837 TDE= -4.588595 36) Finished k-point 37 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=138 logGD-logG0= -0.101200 tlogG= -0.586146 logG= -0.687346 Density= 3.497584 ETOT(band)= -1.773040 trlgG= -2.467497 logG= -0.687346 TDE= -4.586670 44) Finished k-point 45 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102276 tlogG= -0.577950 logG= -0.680227 Density= 3.499968 ETOT(band)= -1.765260 trlgG= -2.458094 logG= -0.680227 TDE= -4.586298 logGD-logG0= -0.101421 tlogG= -0.587068 logG= -0.688490 Density= 3.498035 ETOT(band)= -1.773097 trlgG= -2.471289 logG= -0.688490 TDE= -4.589679 5) Finished k-point 6 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.102097 tlogG= -0.578611 logG= -0.680708 Density= 3.499576 ETOT(band)= -1.766075 trlgG= -2.458960 logG= -0.680708 TDE= -4.586369 9) Finished k-point 10 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=136 15) Finished k-point 16 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101189 tlogG= -0.587804 logG= -0.688993 Density= 3.497367 ETOT(band)= -1.774288 trlgG= -2.472196 logG= -0.688993 TDE= -4.589548 41) Finished k-point 42 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101251 tlogG= -0.587860 logG= -0.689111 Density= 3.497783 ETOT(band)= -1.773909 trlgG= -2.471095 logG= -0.689111 TDE= -4.588662 23) Finished k-point 24 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101266 tlogG= -0.585847 logG= -0.687113 Density= 3.497633 ETOT(band)= -1.772756 trlgG= -2.468539 logG= -0.687113 TDE= -4.587984 logGD-logG0= -0.101771 tlogG= -0.581523 logG= -0.683294 Density= 3.498842 ETOT(band)= -1.768719 trlgG= -2.462969 logG= -0.683294 TDE= -4.587203 logGD-logG0= -0.101461 tlogG= -0.585277 logG= -0.686739 Density= 3.498217 ETOT(band)= -1.771809 trlgG= -2.467786 logG= -0.686739 TDE= -4.588074 21) Finished k-point 22 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=142 22) Finished k-point 23 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=139 40) Finished k-point 41 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=150 DM_nemaxx=141 logGD-logG0= -0.101689 tlogG= -0.582809 logG= -0.684498 Density= 3.498819 ETOT(band)= -1.769598 trlgG= -2.463953 logG= -0.684498 TDE= -4.586965 10) Finished k-point 11 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=135 logGD-logG0= -0.102186 tlogG= -0.578130 logG= -0.680315 Density= 3.499689 ETOT(band)= -1.765624 trlgG= -2.458491 logG= -0.680315 TDE= -4.586384 16) Finished k-point 17 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101784 tlogG= -0.582374 logG= -0.684158 Density= 3.498977 ETOT(band)= -1.769132 trlgG= -2.463988 logG= -0.684158 TDE= -4.587467 6) Finished k-point 7 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101726 tlogG= -0.582223 logG= -0.683949 Density= 3.498646 ETOT(band)= -1.769316 trlgG= -2.464693 logG= -0.683949 TDE= -4.588114 24) Finished k-point 25 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.102650 tlogG= -0.574669 logG= -0.677319 Density= 3.500748 ETOT(band)= -1.762318 trlgG= -2.453418 logG= -0.677319 TDE= -4.585157 4) Finished k-point 5 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.101556 tlogG= -0.584789 logG= -0.686345 Density= 3.498383 ETOT(band)= -1.771277 trlgG= -2.467944 logG= -0.686345 TDE= -4.588759 18) Finished k-point 19 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=140 logGD-logG0= -0.101293 tlogG= -0.588103 logG= -0.689396 Density= 3.497638 ETOT(band)= -1.774185 trlgG= -2.473231 logG= -0.689396 TDE= -4.590397 logGD-logG0= -0.101892 tlogG= -0.581906 logG= -0.683798 Density= 3.499201 ETOT(band)= -1.768596 trlgG= -2.463872 logG= -0.683798 TDE= -4.587890 30) Finished k-point 31 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 2) Finished k-point 3 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=132 logGD-logG0= -0.101090 tlogG= -0.588215 logG= -0.689306 Density= 3.497224 ETOT(band)= -1.774728 trlgG= -2.471745 logG= -0.689306 TDE= -4.588669 45) Finished k-point 46 1 with nemin= 1 nemax=208 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.102076 tlogG= -0.580281 logG= -0.682357 Density= 3.499518 ETOT(band)= -1.767208 trlgG= -2.462019 logG= -0.682357 TDE= -4.587732 13) Finished k-point 14 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.101132 tlogG= -0.590375 logG= -0.691506 Density= 3.497145 ETOT(band)= -1.776153 trlgG= -2.477009 logG= -0.691506 TDE= -4.591669 42) Finished k-point 43 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101132 tlogG= -0.592077 logG= -0.693208 Density= 3.497115 ETOT(band)= -1.777278 trlgG= -2.480297 logG= -0.693208 TDE= -4.593230 43) Finished k-point 44 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=148 DM_nemaxx=136 logGD-logG0= -0.101680 tlogG= -0.584277 logG= -0.685957 Density= 3.498640 ETOT(band)= -1.770683 trlgG= -2.467806 logG= -0.685957 TDE= -4.589215 14) Finished k-point 15 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101335 tlogG= -0.589655 logG= -0.690990 Density= 3.497654 ETOT(band)= -1.775144 trlgG= -2.476219 logG= -0.690990 TDE= -4.591803 27) Finished k-point 28 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101611 tlogG= -0.582729 logG= -0.684340 Density= 3.498403 ETOT(band)= -1.769916 trlgG= -2.464831 logG= -0.684340 TDE= -4.587667 28) Finished k-point 29 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=135 logGD-logG0= -0.101479 tlogG= -0.585404 logG= -0.686883 Density= 3.498374 ETOT(band)= -1.771722 trlgG= -2.467326 logG= -0.686883 TDE= -4.587596 7) Finished k-point 8 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101430 tlogG= -0.587527 logG= -0.688957 Density= 3.497924 ETOT(band)= -1.773503 trlgG= -2.472928 logG= -0.688957 TDE= -4.590762 26) Finished k-point 27 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.102888 tlogG= -0.573783 logG= -0.676671 Density= 3.501341 ETOT(band)= -1.761160 trlgG= -2.452291 logG= -0.676671 TDE= -4.585153 0) Finished k-point 1 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.101543 tlogG= -0.585111 logG= -0.686654 Density= 3.498427 ETOT(band)= -1.771453 trlgG= -2.467658 logG= -0.686654 TDE= -4.588199 3) Finished k-point 4 1 with nemin= 1 nemax=204 DM_nemin= 45 DM_nemax=150 DM_nemaxx=140 logGD-logG0= -0.102462 tlogG= -0.577225 logG= -0.679687 Density= 3.500412 ETOT(band)= -1.764345 trlgG= -2.457360 logG= -0.679687 TDE= -4.586461 1) Finished k-point 2 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=134 logGD-logG0= -0.102417 tlogG= -0.575515 logG= -0.677932 Density= 3.500209 ETOT(band)= -1.763400 trlgG= -2.454721 logG= -0.677932 TDE= -4.585414 8) Finished k-point 9 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.101434 tlogG= -0.585649 logG= -0.687083 Density= 3.498377 ETOT(band)= -1.771905 trlgG= -2.466575 logG= -0.687083 TDE= -4.586648 11) Finished k-point 12 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=139 logGD-logG0= -0.101191 tlogG= -0.590245 logG= -0.691436 Density= 3.497355 ETOT(band)= -1.775842 trlgG= -2.476677 logG= -0.691436 TDE= -4.591576 31) Finished k-point 32 1 with nemin= 1 nemax=205 DM_nemin= 45 DM_nemax=149 DM_nemaxx=138 logGD-logG0= -0.101462 tlogG= -0.584991 logG= -0.686453 Density= 3.498058 ETOT(band)= -1.771733 trlgG= -2.468452 logG= -0.686453 TDE= -4.588898 29) Finished k-point 30 1 with nemin= 1 nemax=206 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 logGD-logG0= -0.101594 tlogG= -0.584454 logG= -0.686048 Density= 3.498333 ETOT(band)= -1.771096 trlgG= -2.468281 logG= -0.686048 TDE= -4.589352 25) Finished k-point 26 1 with nemin= 1 nemax=207 DM_nemin= 45 DM_nemax=149 DM_nemaxx=137 Sum of eigenvalues= -1156.69840938817 eV TrLogG= -1610.74929881792 eV Ratio to renormalize= 1.000459997585 rho-rho_expected=-0.077244062235