nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 472 8) Finished k-point number 9 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 35) Finished k-point number 36 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 34) Finished k-point number 35 1 with #bands= 476 13) Finished k-point number 14 1 with #bands= 472 36) Finished k-point number 37 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 39) Finished k-point number 40 1 with #bands= 476 38) Finished k-point number 39 1 with #bands= 470 15) Finished k-point number 16 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 2) Finished k-point number 3 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 10) Finished k-point number 11 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 0) Finished k-point number 1 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 43) Finished k-point number 44 1 with #bands= 472 1) Finished k-point number 2 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 40) Finished k-point number 41 1 with #bands= 480 5) Finished k-point number 6 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 28) Finished k-point number 29 1 with #bands= 466 41) Finished k-point number 42 1 with #bands= 480 7) Finished k-point number 8 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 16) Finished k-point number 17 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747878362505397 0.747888765778558 0.757692577416241 0.757671160257806 0.757588347427367 0.757606746579372 0.747878356830275 0.747888769703591 0.757692567428447 0.757671161270348 0.757588339195940 0.757606754780041 0.747885575577704 0.747889399618813 0.757655650159176 0.757715198613497 0.757607653173461 0.757587598505401 0.747885593008681 0.747889380874139 0.757655655643266 0.757715193064845 0.757607654769435 0.757587597088662 0.747880251269954 0.747869023599018 0.757625423050167 0.757646521795975 0.757617075957941 0.757599354989571 0.747880263290526 0.747869021513798 0.757625434086534 0.757646512766966 0.757617079143741 0.757599351749894 0.747881237061794 0.747878216168431 0.757670230522739 0.757611897827679 0.757601774052934 0.757617996476574 0.747881237533141 0.747878219656137 0.757670226752627 0.757611896446086 0.757601775103245 0.757617995722434 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200882 logg= -0.006813 ETOT= -18.133423 -18.145210 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201270 logg= -0.007176 ETOT= -18.127565 -18.140118 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200797 logg= -0.006845 ETOT= -18.139535 -18.152077 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201044 logg= -0.006788 ETOT= -18.128211 -18.139800 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200985 logg= -0.006418 ETOT= -18.129386 -18.139781 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201529 logg= -0.007204 ETOT= -18.121691 -18.134525 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100701 logg= -0.003495 ETOT= -9.076719 -9.084966 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201023 logg= -0.006795 ETOT= -18.148303 -18.163307 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201158 logg= -0.006774 ETOT= -18.125047 -18.136520 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201652 logg= -0.007197 ETOT= -18.118176 -18.131415 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201816 logg= -0.007473 ETOT= -18.120560 -18.134037 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100430 logg= -0.003273 ETOT= -9.072012 -9.078897 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.200883 logg= -0.006443 ETOT= -18.132155 -18.142724 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200868 logg= -0.006838 ETOT= -18.144837 -18.158895 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200783 logg= -0.006511 ETOT= -18.137106 -18.148855 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200812 logg= -0.006630 ETOT= -18.142920 -18.156366 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201021 logg= -0.006795 ETOT= -18.148305 -18.163309 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201162 logg= -0.006777 ETOT= -18.125042 -18.136521 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100553 logg= -0.003386 ETOT= -9.074718 -9.082377 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.203628 logg= -0.008245 ETOT= -18.104204 -18.122185 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 3.550378 logg= -0.001770 ETOT= -4.538774 -4.543004 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.203101 logg= -0.008023 ETOT= -18.107828 -18.124742 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100432 logg= -0.003273 ETOT= -9.072010 -9.078896 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200887 logg= -0.006444 ETOT= -18.132154 -18.142722 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202526 logg= -0.007701 ETOT= -18.110460 -18.126237 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202285 logg= -0.007641 ETOT= -18.114248 -18.129216 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100485 logg= -0.003125 ETOT= -9.065313 -9.070275 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200988 logg= -0.006419 ETOT= -18.129389 -18.139781 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100408 logg= -0.003194 ETOT= -9.069134 -9.075227 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100448 logg= -0.003147 ETOT= -9.066716 -9.072108 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201045 logg= -0.006788 ETOT= -18.128210 -18.139799 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202526 logg= -0.007700 ETOT= -18.110461 -18.126236 Density= 14.204391 logg= -0.008602 ETOT= -18.100763 -18.119936 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.201652 logg= -0.007198 ETOT= -18.118176 -18.131415 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.202285 logg= -0.007641 ETOT= -18.114248 -18.129216 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100486 logg= -0.003126 ETOT= -9.065316 -9.070275 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201529 logg= -0.007204 ETOT= -18.121691 -18.134525 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203628 logg= -0.008246 ETOT= -18.104204 -18.122186 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200880 logg= -0.006813 ETOT= -18.133424 -18.145211 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100450 logg= -0.003147 ETOT= -9.066717 -9.072107 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200815 logg= -0.006630 ETOT= -18.142916 -18.156364 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100411 logg= -0.003194 ETOT= -9.069132 -9.075225 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201269 logg= -0.007176 ETOT= -18.127566 -18.140119 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201285 logg= -0.006936 ETOT= -18.152046 -18.168147 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100701 logg= -0.003495 ETOT= -9.076719 -9.084965 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200787 logg= -0.006511 ETOT= -18.137103 -18.148852 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200966 logg= -0.007053 ETOT= -18.134045 -18.146483 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200799 logg= -0.006845 ETOT= -18.139534 -18.152076 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100552 logg= -0.003386 ETOT= -9.074719 -9.082378 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Sum of eigenvalues= -10421.5917122460 eV TrLogG= -10429.3017652715 eV Ratio to renormalize= 0.999981014842 rho-rho_expected= 0.011391310830 nargs= 1 argi=dmft2.def 44) Finished k-point number 45 1 with #bands= 472 15) Finished k-point number 16 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 45) Finished k-point number 46 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 32) Finished k-point number 33 1 with #bands= 476 2) Finished k-point number 3 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 6) Finished k-point number 7 1 with #bands= 472 42) Finished k-point number 43 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 36) Finished k-point number 37 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 13) Finished k-point number 14 1 with #bands= 472 8) Finished k-point number 9 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 27) Finished k-point number 28 1 with #bands= 472 12) Finished k-point number 13 1 with #bands= 470 14) Finished k-point number 15 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 7) Finished k-point number 8 1 with #bands= 470 1) Finished k-point number 2 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 468 33) Finished k-point number 34 1 with #bands= 476 35) Finished k-point number 36 1 with #bands= 472 43) Finished k-point number 44 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 5) Finished k-point number 6 1 with #bands= 472 40) Finished k-point number 41 1 with #bands= 480 0) Finished k-point number 1 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 25) Finished k-point number 26 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 26) Finished k-point number 27 1 with #bands= 470 24) Finished k-point number 25 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 28) Finished k-point number 29 1 with #bands= 466 16) Finished k-point number 17 1 with #bands= 468 29) Finished k-point number 30 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747875477116340 0.747886245843391 0.757692108443991 0.757669921522618 0.757587568609286 0.757606019920690 0.747875469574020 0.747886246168639 0.757692095404366 0.757669931596639 0.757587563759536 0.757606024745519 0.747884928768376 0.747886295265385 0.757655349966299 0.757712561304350 0.757607264729265 0.757586439831774 0.747884925935489 0.747886294730802 0.757655352255479 0.757712562545434 0.757607264189335 0.757586440523144 0.747881051994891 0.747870178783477 0.757624019731590 0.757646781390346 0.757618456924006 0.757597036789817 0.747881061916294 0.747870180584434 0.757624029713993 0.757646771265832 0.757618461614917 0.757597032035753 0.747879800541864 0.747878871786011 0.757669842066665 0.757613570641970 0.757599700793779 0.757619101740946 0.747879794471835 0.747878870015050 0.757669850596987 0.757613571994405 0.757599700517656 0.757619102270602 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201526 logg= -0.006965 ETOT= -18.127991 -18.139788 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201294 logg= -0.007020 ETOT= -18.139307 -18.152054 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201369 logg= -0.006989 ETOT= -18.133200 -18.145193 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201465 logg= -0.007229 ETOT= -18.133815 -18.146460 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201757 logg= -0.007354 ETOT= -18.127341 -18.140104 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201446 logg= -0.006595 ETOT= -18.129182 -18.139781 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100660 logg= -0.003361 ETOT= -9.071909 -9.078896 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201254 logg= -0.006687 ETOT= -18.136894 -18.148846 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201286 logg= -0.006805 ETOT= -18.142705 -18.156354 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201636 logg= -0.006952 ETOT= -18.124829 -18.136510 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201348 logg= -0.006619 ETOT= -18.131947 -18.142720 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201358 logg= -0.007013 ETOT= -18.144612 -18.158874 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100781 logg= -0.003473 ETOT= -9.074616 -9.082376 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201756 logg= -0.007354 ETOT= -18.127342 -18.140104 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201492 logg= -0.006969 ETOT= -18.148090 -18.163298 Density= 14.201372 logg= -0.006989 ETOT= -18.133198 -18.145192 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201491 logg= -0.006969 ETOT= -18.148092 -18.163299 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100635 logg= -0.003282 ETOT= -9.069033 -9.075227 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 3.550483 logg= -0.001813 ETOT= -4.538728 -4.543008 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.202972 logg= -0.007882 ETOT= -18.110258 -18.126248 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100920 logg= -0.003582 ETOT= -9.076621 -9.084969 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201353 logg= -0.006621 ETOT= -18.131946 -18.142718 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202289 logg= -0.007652 ETOT= -18.120343 -18.134031 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202121 logg= -0.007377 ETOT= -18.117961 -18.131412 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.202004 logg= -0.007383 ETOT= -18.121473 -18.134518 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201449 logg= -0.006596 ETOT= -18.129185 -18.139780 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100705 logg= -0.003214 ETOT= -9.065218 -9.070280 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203535 logg= -0.008205 ETOT= -18.107631 -18.124760 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202004 logg= -0.007383 ETOT= -18.121473 -18.134518 Density= 14.202741 logg= -0.007822 ETOT= -18.114040 -18.129221 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204048 logg= -0.008428 ETOT= -18.104015 -18.122211 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202741 logg= -0.007822 ETOT= -18.114040 -18.129221 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201527 logg= -0.006965 ETOT= -18.127990 -18.139787 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202972 logg= -0.007882 ETOT= -18.110258 -18.126248 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100671 logg= -0.003235 ETOT= -9.066618 -9.072111 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202121 logg= -0.007377 ETOT= -18.117961 -18.131412 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201640 logg= -0.006956 ETOT= -18.124824 -18.136512 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204048 logg= -0.008429 ETOT= -18.104015 -18.122211 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.204796 logg= -0.008786 ETOT= -18.100583 -18.119971 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 7.100780 logg= -0.003473 ETOT= -9.074617 -9.082377 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100707 logg= -0.003215 ETOT= -9.065221 -9.070279 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100674 logg= -0.003235 ETOT= -9.066619 -9.072110 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100638 logg= -0.003282 ETOT= -9.069032 -9.075225 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201290 logg= -0.006805 ETOT= -18.142702 -18.156352 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201295 logg= -0.007020 ETOT= -18.139305 -18.152053 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201737 logg= -0.007110 ETOT= -18.151843 -18.168147 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100662 logg= -0.003361 ETOT= -9.071907 -9.078894 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201259 logg= -0.006686 ETOT= -18.136891 -18.148843 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100920 logg= -0.003581 ETOT= -9.076621 -9.084969 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10421.4707880088 eV TrLogG= -10429.2998939299 eV Ratio to renormalize= 0.999948288339 rho-rho_expected= 0.031028600867 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 468 34) Finished k-point number 35 1 with #bands= 476 14) Finished k-point number 15 1 with #bands= 468 39) Finished k-point number 40 1 with #bands= 476 3) Finished k-point number 4 1 with #bands= 466 0) Finished k-point number 1 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 32) Finished k-point number 33 1 with #bands= 476 43) Finished k-point number 44 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 37) Finished k-point number 38 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 9) Finished k-point number 10 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 27) Finished k-point number 28 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 15) Finished k-point number 16 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 2) Finished k-point number 3 1 with #bands= 468 40) Finished k-point number 41 1 with #bands= 480 41) Finished k-point number 42 1 with #bands= 480 1) Finished k-point number 2 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 33) Finished k-point number 34 1 with #bands= 476 36) Finished k-point number 37 1 with #bands= 470 28) Finished k-point number 29 1 with #bands= 466 8) Finished k-point number 9 1 with #bands= 468 13) Finished k-point number 14 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 29) Finished k-point number 30 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 45) Finished k-point number 46 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 24) Finished k-point number 25 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 468 16) Finished k-point number 17 1 with #bands= 468 21) Finished k-point number 22 1 with #bands= 466 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747875612336921 0.747889128819177 0.757692208141252 0.757670078363811 0.757587024819704 0.757607316024059 0.747875607556951 0.747889131209870 0.757692195377022 0.757670082929250 0.757587019315766 0.757607321476936 0.747885522386279 0.747888911921435 0.757653554326396 0.757714424874986 0.757608791785603 0.757585685636822 0.747885527173544 0.747888924327834 0.757653556368244 0.757714406153087 0.757608793409879 0.757585684182253 0.747882628102763 0.747868745797124 0.757623019807446 0.757646861355803 0.757617143841709 0.757598817995010 0.747882638130094 0.747868746380807 0.757623032123980 0.757646848744112 0.757617148374454 0.757598813417406 0.747880722713402 0.747877672614531 0.757671529248849 0.757611839664299 0.757598888110218 0.757620398672781 0.747880721983468 0.747877672578113 0.757671527032014 0.757611844172431 0.757598888111317 0.757620398954939 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201115 logg= -0.007218 ETOT= -18.133291 -18.145524 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202070 logg= -0.007876 ETOT= -18.120413 -18.134338 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.201235 logg= -0.007455 ETOT= -18.133891 -18.146775 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201260 logg= -0.007194 ETOT= -18.128088 -18.140125 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200967 logg= -0.006918 ETOT= -18.137007 -18.149197 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201767 logg= -0.007609 ETOT= -18.121555 -18.134837 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201137 logg= -0.006826 ETOT= -18.129305 -18.140143 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200963 logg= -0.006918 ETOT= -18.137010 -18.149200 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201046 logg= -0.006851 ETOT= -18.132068 -18.143079 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201006 logg= -0.007036 ETOT= -18.142816 -18.156702 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201364 logg= -0.007181 ETOT= -18.124930 -18.136850 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201102 logg= -0.007241 ETOT= -18.144707 -18.159206 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201222 logg= -0.007199 ETOT= -18.148197 -18.163639 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201368 logg= -0.007184 ETOT= -18.124925 -18.136852 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203329 logg= -0.008426 ETOT= -18.107695 -18.125056 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201878 logg= -0.007604 ETOT= -18.118046 -18.131735 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201220 logg= -0.007199 ETOT= -18.148199 -18.163640 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100642 logg= -0.003588 ETOT= -9.074672 -9.082549 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201045 logg= -0.007248 ETOT= -18.139396 -18.152381 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201050 logg= -0.006852 ETOT= -18.132067 -18.143077 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 3.550430 logg= -0.001870 ETOT= -4.538747 -4.543085 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 7.100479 logg= -0.003399 ETOT= -9.069098 -9.075410 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201262 logg= -0.007194 ETOT= -18.128088 -18.140124 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202525 logg= -0.008045 ETOT= -18.114110 -18.129526 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202524 logg= -0.008045 ETOT= -18.114110 -18.129526 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201139 logg= -0.006827 ETOT= -18.129308 -18.140143 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203845 logg= -0.008647 ETOT= -18.104077 -18.122504 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.202754 logg= -0.008105 ETOT= -18.110329 -18.126554 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201767 logg= -0.007609 ETOT= -18.121555 -18.134837 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201047 logg= -0.007248 ETOT= -18.139395 -18.152380 Density= 14.202754 logg= -0.008106 ETOT= -18.110329 -18.126554 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204598 logg= -0.009000 ETOT= -18.100643 -18.120257 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 7.100539 logg= -0.003330 ETOT= -9.065287 -9.070468 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100509 logg= -0.003351 ETOT= -9.066686 -9.072297 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201527 logg= -0.007580 ETOT= -18.127417 -18.140418 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.203845 logg= -0.008647 ETOT= -18.104077 -18.122504 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100482 logg= -0.003399 ETOT= -9.069097 -9.075409 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100541 logg= -0.003331 ETOT= -9.065290 -9.070468 Density= 14.201878 logg= -0.007604 ETOT= -18.118046 -18.131735 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100511 logg= -0.003352 ETOT= -9.066687 -9.072296 Density= 14.201009 logg= -0.007035 ETOT= -18.142813 -18.156699 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201527 logg= -0.007580 ETOT= -18.127418 -18.140418 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201480 logg= -0.007339 ETOT= -18.151943 -18.168479 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=692 Density= 7.100514 logg= -0.003477 ETOT= -9.071969 -9.079073 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100641 logg= -0.003588 ETOT= -9.074673 -9.082550 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100797 logg= -0.003695 ETOT= -9.076668 -9.085132 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100511 logg= -0.003477 ETOT= -9.071971 -9.079074 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201117 logg= -0.007218 ETOT= -18.133290 -18.145523 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100797 logg= -0.003696 ETOT= -9.076668 -9.085132 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10421.5255831275 eV TrLogG= -10429.4905029314 eV Ratio to renormalize= 0.999966446912 rho-rho_expected= 0.020132528036 nargs= 1 argi=dmft2.def 33) Finished k-point number 34 1 with #bands= 476 39) Finished k-point number 40 1 with #bands= 476 48) Finished k-point number 49 1 with #bands= 480 36) Finished k-point number 37 1 with #bands= 470 38) Finished k-point number 39 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 31) Finished k-point number 32 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 15) Finished k-point number 16 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 18) Finished k-point number 19 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 2) Finished k-point number 3 1 with #bands= 468 21) Finished k-point number 22 1 with #bands= 466 13) Finished k-point number 14 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 3) Finished k-point number 4 1 with #bands= 466 6) Finished k-point number 7 1 with #bands= 472 23) Finished k-point number 24 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 32) Finished k-point number 33 1 with #bands= 476 28) Finished k-point number 29 1 with #bands= 466 29) Finished k-point number 30 1 with #bands= 468 7) Finished k-point number 8 1 with #bands= 470 1) Finished k-point number 2 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 11) Finished k-point number 12 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 43) Finished k-point number 44 1 with #bands= 472 42) Finished k-point number 43 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 0) Finished k-point number 1 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 25) Finished k-point number 26 1 with #bands= 472 24) Finished k-point number 25 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747876012768955 0.747887019009340 0.757689313605241 0.757669077780808 0.757586158218145 0.757606447216790 0.747875999790148 0.747887018507862 0.757689308775135 0.757669085376105 0.757586150878163 0.757606454539615 0.747884481297256 0.747887172274986 0.757653085867325 0.757711920188342 0.757605988679929 0.757586733374584 0.747884483622600 0.747887173194275 0.757653082730215 0.757711919834910 0.757605988093206 0.757586734136039 0.747880275625835 0.747869648142503 0.757623153347489 0.757647818485262 0.757617193646835 0.757597456742774 0.747880286983610 0.747869648013864 0.757623154950834 0.757647814947941 0.757617199344677 0.757597450975469 0.747878906479354 0.747878576517617 0.757668865475298 0.757614609984786 0.757600896024719 0.757617069861867 0.747878904597650 0.747878576605693 0.757668867562302 0.757614608597954 0.757600896379704 0.757617069777275 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 7.100412 logg= -0.003321 ETOT= -9.069143 -9.075377 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100585 logg= -0.003510 ETOT= -9.074712 -9.082511 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200996 logg= -0.006669 ETOT= -18.129397 -18.140079 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200838 logg= -0.006761 ETOT= -18.137093 -18.149127 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100415 logg= -0.003321 ETOT= -9.069142 -9.075375 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100452 logg= -0.003399 ETOT= -9.072011 -9.079037 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200886 logg= -0.006879 ETOT= -18.142897 -18.156627 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100743 logg= -0.003618 ETOT= -9.076706 -9.085092 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200909 logg= -0.006693 ETOT= -18.132157 -18.143012 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200834 logg= -0.006761 ETOT= -18.137096 -18.149130 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201111 logg= -0.007043 ETOT= -18.148274 -18.163560 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201109 logg= -0.007043 ETOT= -18.148276 -18.163561 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201756 logg= -0.007446 ETOT= -18.118127 -18.131659 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201651 logg= -0.007450 ETOT= -18.121631 -18.134757 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200992 logg= -0.007084 ETOT= -18.144782 -18.159126 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100587 logg= -0.003510 ETOT= -9.074711 -9.082510 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200996 logg= -0.007059 ETOT= -18.133368 -18.145447 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201134 logg= -0.007035 ETOT= -18.128171 -18.140051 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201135 logg= -0.007035 ETOT= -18.128170 -18.140051 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550400 logg= -0.001831 ETOT= -4.538767 -4.543067 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.200999 logg= -0.006670 ETOT= -18.129400 -18.140078 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202419 logg= -0.007886 ETOT= -18.114182 -18.129441 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203231 logg= -0.008266 ETOT= -18.107764 -18.124967 Density= 14.200913 logg= -0.006694 ETOT= -18.132156 -18.143011 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201757 logg= -0.007446 ETOT= -18.118127 -18.131659 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.204510 logg= -0.008840 ETOT= -18.100707 -18.120162 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.202645 logg= -0.007946 ETOT= -18.110404 -18.126471 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202419 logg= -0.007886 ETOT= -18.114182 -18.129441 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201236 logg= -0.007026 ETOT= -18.125011 -18.136782 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203750 logg= -0.008487 ETOT= -18.104145 -18.122413 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.202645 logg= -0.007947 ETOT= -18.110404 -18.126471 Density= 7.100467 logg= -0.003252 ETOT= -9.065335 -9.070437 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200933 logg= -0.007090 ETOT= -18.139470 -18.152301 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203750 logg= -0.008487 ETOT= -18.104145 -18.122413 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100438 logg= -0.003273 ETOT= -9.066733 -9.072266 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200998 logg= -0.007059 ETOT= -18.133367 -18.145446 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100469 logg= -0.003252 ETOT= -9.065338 -9.070437 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201129 logg= -0.007296 ETOT= -18.133960 -18.146690 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100450 logg= -0.003399 ETOT= -9.072013 -9.079038 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201373 logg= -0.007183 ETOT= -18.152018 -18.168398 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.201419 logg= -0.007420 ETOT= -18.127488 -18.140334 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100441 logg= -0.003273 ETOT= -9.066734 -9.072265 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100743 logg= -0.003617 ETOT= -9.076706 -9.085092 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201419 logg= -0.007420 ETOT= -18.127488 -18.140334 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201651 logg= -0.007450 ETOT= -18.121631 -18.134758 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201967 logg= -0.007716 ETOT= -18.120482 -18.134251 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201233 logg= -0.007022 ETOT= -18.125016 -18.136780 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200935 logg= -0.007090 ETOT= -18.139468 -18.152300 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200890 logg= -0.006879 ETOT= -18.142894 -18.156625 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Sum of eigenvalues= -10421.5708927839 eV TrLogG= -10429.4460203804 eV Ratio to renormalize= 0.999974720643 rho-rho_expected= 0.015167997463 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 466 47) Finished k-point number 48 1 with #bands= 480 2) Finished k-point number 3 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 39) Finished k-point number 40 1 with #bands= 476 10) Finished k-point number 11 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 48) Finished k-point number 49 1 with #bands= 480 35) Finished k-point number 36 1 with #bands= 472 6) Finished k-point number 7 1 with #bands= 472 36) Finished k-point number 37 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 27) Finished k-point number 28 1 with #bands= 472 12) Finished k-point number 13 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 9) Finished k-point number 10 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 31) Finished k-point number 32 1 with #bands= 472 24) Finished k-point number 25 1 with #bands= 470 15) Finished k-point number 16 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 0) Finished k-point number 1 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 40) Finished k-point number 41 1 with #bands= 480 7) Finished k-point number 8 1 with #bands= 470 38) Finished k-point number 39 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 19) Finished k-point number 20 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 26) Finished k-point number 27 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 43) Finished k-point number 44 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 3) Finished k-point number 4 1 with #bands= 466 44) Finished k-point number 45 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 18) Finished k-point number 19 1 with #bands= 468 16) Finished k-point number 17 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747885289126570 0.747893915243929 0.757691516888409 0.757669287911388 0.757597801915258 0.757617727970966 0.747885284490217 0.747893914535830 0.757691501937595 0.757669294576859 0.757597782032795 0.757617747878299 0.747887715383784 0.747889025856031 0.757649097458956 0.757710048580109 0.757607916724731 0.757589489063806 0.747887708279696 0.747889026172711 0.757649104473614 0.757710050448211 0.757607924356558 0.757589481552387 0.747888452933183 0.747879585550404 0.757633466547795 0.757652295384469 0.757629928831795 0.757608869041215 0.747888458296940 0.747879586932995 0.757633475801893 0.757652295140531 0.757629919029018 0.757608878882914 0.747882738722927 0.747881985929002 0.757674537754195 0.757615908732776 0.757601529770645 0.757622088957406 0.747882740619983 0.747881985463590 0.757674541020907 0.757615902984721 0.757601502801651 0.757622116136663 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201026 logg= -0.007835 ETOT= -18.127771 -18.141103 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200454 logg= -0.007173 ETOT= -18.137373 -18.149887 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200502 logg= -0.007290 ETOT= -18.143175 -18.157386 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100262 logg= -0.003604 ETOT= -9.072149 -9.079415 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200728 logg= -0.007710 ETOT= -18.134249 -18.147463 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200530 logg= -0.007106 ETOT= -18.132434 -18.143770 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200534 logg= -0.007503 ETOT= -18.139758 -18.153071 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200449 logg= -0.007173 ETOT= -18.137375 -18.149890 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200724 logg= -0.007454 ETOT= -18.148554 -18.164321 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200622 logg= -0.007081 ETOT= -18.129672 -18.140835 Density= 14.200498 logg= -0.007291 ETOT= -18.143178 -18.157389 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200596 logg= -0.007497 ETOT= -18.145067 -18.159893 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200726 logg= -0.007454 ETOT= -18.148552 -18.164320 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201580 logg= -0.008133 ETOT= -18.120760 -18.135018 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 7.100397 logg= -0.003716 ETOT= -9.074848 -9.082888 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201379 logg= -0.007861 ETOT= -18.118399 -18.132419 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100223 logg= -0.003526 ETOT= -9.069281 -9.075755 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 3.550308 logg= -0.001934 ETOT= -4.538834 -4.543254 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.200624 logg= -0.007082 ETOT= -18.129675 -18.140835 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200535 logg= -0.007107 ETOT= -18.132433 -18.143769 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200750 logg= -0.007449 ETOT= -18.128450 -18.140814 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202859 logg= -0.008684 ETOT= -18.108030 -18.125727 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201269 logg= -0.007865 ETOT= -18.121907 -18.135520 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202040 logg= -0.008302 ETOT= -18.114453 -18.130203 Density= 14.200535 logg= -0.007503 ETOT= -18.139757 -18.153070 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200859 logg= -0.007440 ETOT= -18.125287 -18.137541 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100252 logg= -0.003479 ETOT= -9.066870 -9.072643 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201380 logg= -0.007861 ETOT= -18.118399 -18.132418 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201268 logg= -0.007865 ETOT= -18.121907 -18.135521 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201026 logg= -0.007835 ETOT= -18.127771 -18.141103 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202040 logg= -0.008302 ETOT= -18.114453 -18.130203 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202272 logg= -0.008363 ETOT= -18.110671 -18.127230 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200752 logg= -0.007449 ETOT= -18.128449 -18.140813 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203384 logg= -0.008906 ETOT= -18.104407 -18.123171 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.204151 logg= -0.009261 ETOT= -18.100964 -18.120918 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 7.100281 logg= -0.003457 ETOT= -9.065471 -9.070814 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202272 logg= -0.008363 ETOT= -18.110672 -18.127230 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100260 logg= -0.003604 ETOT= -9.072151 -9.079417 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 7.100283 logg= -0.003458 ETOT= -9.065474 -9.070814 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203384 logg= -0.008906 ETOT= -18.104406 -18.123171 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.200605 logg= -0.007473 ETOT= -18.133651 -18.146213 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100254 logg= -0.003479 ETOT= -9.066871 -9.072642 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200997 logg= -0.007594 ETOT= -18.152290 -18.169154 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100557 logg= -0.003823 ETOT= -9.076841 -9.085468 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200607 logg= -0.007478 ETOT= -18.133645 -18.146217 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100396 logg= -0.003716 ETOT= -9.074849 -9.082889 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200855 logg= -0.007436 ETOT= -18.125292 -18.137540 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100557 logg= -0.003823 ETOT= -9.076841 -9.085468 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100226 logg= -0.003526 ETOT= -9.069279 -9.075753 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Sum of eigenvalues= -10421.7292652386 eV TrLogG= -10429.8835028291 eV Ratio to renormalize= 1.000001548521 rho-rho_expected=-0.000929111347 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 38) Finished k-point number 39 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 21) Finished k-point number 22 1 with #bands= 466 37) Finished k-point number 38 1 with #bands= 470 48) Finished k-point number 49 1 with #bands= 480 35) Finished k-point number 36 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 34) Finished k-point number 35 1 with #bands= 476 36) Finished k-point number 37 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 1) Finished k-point number 2 1 with #bands= 470 28) Finished k-point number 29 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 33) Finished k-point number 34 1 with #bands= 476 12) Finished k-point number 13 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 39) Finished k-point number 40 1 with #bands= 476 43) Finished k-point number 44 1 with #bands= 472 6) Finished k-point number 7 1 with #bands= 472 10) Finished k-point number 11 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 13) Finished k-point number 14 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 3) Finished k-point number 4 1 with #bands= 466 9) Finished k-point number 10 1 with #bands= 468 0) Finished k-point number 1 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 15) Finished k-point number 16 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 29) Finished k-point number 30 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 27) Finished k-point number 28 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 24) Finished k-point number 25 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 22) Finished k-point number 23 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747888758906051 0.747902092902281 0.757696547847956 0.757680171800413 0.757601615230176 0.757625366002858 0.747888727333173 0.747902094934841 0.757696551591640 0.757680178095008 0.757601619263014 0.757625362035750 0.747896333241342 0.747896175300048 0.757659557341734 0.757717221466416 0.757620382308362 0.757605702753513 0.747896361288207 0.747896178225619 0.757659558013131 0.757717197662933 0.757620386144970 0.757605698784541 0.747902994776344 0.747887469799000 0.757649977669771 0.757665868906589 0.757637603869106 0.757614431873830 0.747903006023585 0.747887496942341 0.757649962037179 0.757665855719511 0.757637609660298 0.757614426227534 0.747896960642335 0.747895119133892 0.757688281175196 0.757632820796675 0.757617929367237 0.757634913269243 0.747896946963327 0.747895133252948 0.757688278400670 0.757632825518127 0.757617937221407 0.757634905067393 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201628 logg= -0.007267 ETOT= -18.127875 -18.140546 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201231 logg= -0.006514 ETOT= -18.129770 -18.140275 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201142 logg= -0.006538 ETOT= -18.132531 -18.143208 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201067 logg= -0.006606 ETOT= -18.137470 -18.149323 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201107 logg= -0.006725 ETOT= -18.143279 -18.156828 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201360 logg= -0.006881 ETOT= -18.128547 -18.140252 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201320 logg= -0.006890 ETOT= -18.148663 -18.163769 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201062 logg= -0.006606 ETOT= -18.137472 -18.149326 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202165 logg= -0.007564 ETOT= -18.120875 -18.134466 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201864 logg= -0.007296 ETOT= -18.122015 -18.134963 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201339 logg= -0.007144 ETOT= -18.134348 -18.146903 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100690 logg= -0.003434 ETOT= -9.074906 -9.082615 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201206 logg= -0.006932 ETOT= -18.145169 -18.159332 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201318 logg= -0.006891 ETOT= -18.148665 -18.163770 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201111 logg= -0.006725 ETOT= -18.143276 -18.156826 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100835 logg= -0.003542 ETOT= -9.076908 -9.085204 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100527 logg= -0.003243 ETOT= -9.069331 -9.075474 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202611 logg= -0.007733 ETOT= -18.114577 -18.129659 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203401 logg= -0.008116 ETOT= -18.108173 -18.125199 Density= 14.201234 logg= -0.006515 ETOT= -18.129773 -18.140274 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201150 logg= -0.006937 ETOT= -18.139855 -18.152505 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202834 logg= -0.007794 ETOT= -18.110800 -18.126690 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201864 logg= -0.007296 ETOT= -18.122014 -18.134962 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201466 logg= -0.006870 ETOT= -18.125385 -18.136979 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201147 logg= -0.006539 ETOT= -18.132530 -18.143207 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201362 logg= -0.006881 ETOT= -18.128546 -18.140251 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201973 logg= -0.007290 ETOT= -18.118507 -18.131860 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 3.550443 logg= -0.001794 ETOT= -4.538870 -4.543125 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.202611 logg= -0.007733 ETOT= -18.114578 -18.129659 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204648 logg= -0.008694 ETOT= -18.101137 -18.120415 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 14.203907 logg= -0.008338 ETOT= -18.104562 -18.122653 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202834 logg= -0.007793 ETOT= -18.110801 -18.126690 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100555 logg= -0.003196 ETOT= -9.066920 -9.072362 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100585 logg= -0.003174 ETOT= -9.065522 -9.070534 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201973 logg= -0.007290 ETOT= -18.118507 -18.131861 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.203907 logg= -0.008338 ETOT= -18.104562 -18.122654 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100587 logg= -0.003175 ETOT= -9.065525 -9.070533 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100558 logg= -0.003196 ETOT= -9.066921 -9.072361 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100530 logg= -0.003243 ETOT= -9.069330 -9.075473 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100688 logg= -0.003434 ETOT= -9.074907 -9.082616 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201221 logg= -0.006910 ETOT= -18.133742 -18.145654 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201567 logg= -0.007032 ETOT= -18.152416 -18.168616 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.201465 logg= -0.006870 ETOT= -18.125384 -18.136980 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201151 logg= -0.006937 ETOT= -18.139853 -18.152504 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100835 logg= -0.003542 ETOT= -9.076908 -9.085203 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100561 logg= -0.003322 ETOT= -9.072204 -9.079138 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201628 logg= -0.007267 ETOT= -18.127876 -18.140546 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201223 logg= -0.006910 ETOT= -18.133740 -18.145653 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100563 logg= -0.003322 ETOT= -9.072202 -9.079137 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Sum of eigenvalues= -10421.7930234639 eV TrLogG= -10429.5660527077 eV Ratio to renormalize= 0.999959910821 rho-rho_expected= 0.024054471784 nargs= 1 argi=dmft2.def 12) Finished k-point number 13 1 with #bands= 470 14) Finished k-point number 15 1 with #bands= 468 38) Finished k-point number 39 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 34) Finished k-point number 35 1 with #bands= 476 33) Finished k-point number 34 1 with #bands= 476 37) Finished k-point number 38 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 39) Finished k-point number 40 1 with #bands= 476 32) Finished k-point number 33 1 with #bands= 476 3) Finished k-point number 4 1 with #bands= 466 43) Finished k-point number 44 1 with #bands= 472 15) Finished k-point number 16 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 36) Finished k-point number 37 1 with #bands= 470 6) Finished k-point number 7 1 with #bands= 472 2) Finished k-point number 3 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 8) Finished k-point number 9 1 with #bands= 468 1) Finished k-point number 2 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 35) Finished k-point number 36 1 with #bands= 472 0) Finished k-point number 1 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 40) Finished k-point number 41 1 with #bands= 480 19) Finished k-point number 20 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 31) Finished k-point number 32 1 with #bands= 472 20) Finished k-point number 21 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 28) Finished k-point number 29 1 with #bands= 468 18) Finished k-point number 19 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 16) Finished k-point number 17 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747884965357585 0.747899957811845 0.757684398642856 0.757667163757927 0.757603231284834 0.757625275086214 0.747884942530133 0.747899960788544 0.757684401689412 0.757667169019672 0.757603227264239 0.757625279205360 0.747893272457131 0.747890528186798 0.757646347493431 0.757705175109425 0.757623977650914 0.757603802318067 0.747893279352011 0.747890523040014 0.757646336464803 0.757705186590009 0.757623976401684 0.757603803305461 0.747909747100170 0.747894109771951 0.757664525276857 0.757681651250063 0.757639999611731 0.757616347259033 0.747909760057245 0.747894116225407 0.757664533768604 0.757681634164871 0.757640001532848 0.757616345437087 0.747900757427187 0.747901502451107 0.757703400615000 0.757648452284732 0.757620547706740 0.757635592848100 0.747900761615194 0.747901497769375 0.757703402629454 0.757648451015046 0.757620549960521 0.757635590223485 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201142 logg= -0.006805 ETOT= -18.140693 -18.153218 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100562 logg= -0.003256 ETOT= -9.072620 -9.079492 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 7.100692 logg= -0.003368 ETOT= -9.075323 -9.082968 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201062 logg= -0.006475 ETOT= -18.138307 -18.150035 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201136 logg= -0.006407 ETOT= -18.133369 -18.143925 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201223 logg= -0.006383 ETOT= -18.130609 -18.140994 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201436 logg= -0.006739 ETOT= -18.126234 -18.137709 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100528 logg= -0.003177 ETOT= -9.069749 -9.075829 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201202 logg= -0.006800 ETOT= -18.146005 -18.160042 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201105 logg= -0.006594 ETOT= -18.144115 -18.157538 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201600 logg= -0.007136 ETOT= -18.128725 -18.141276 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201207 logg= -0.006779 ETOT= -18.134583 -18.146376 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 3.550445 logg= -0.001760 ETOT= -4.539077 -4.543300 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201321 logg= -0.006758 ETOT= -18.149497 -18.164476 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201058 logg= -0.006475 ETOT= -18.138310 -18.150038 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201323 logg= -0.006758 ETOT= -18.149495 -18.164475 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201824 logg= -0.007165 ETOT= -18.122871 -18.135693 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202563 logg= -0.007602 ETOT= -18.115438 -18.130395 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203355 logg= -0.007985 ETOT= -18.109033 -18.125934 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201205 logg= -0.006779 ETOT= -18.134585 -18.146378 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201140 logg= -0.006408 ETOT= -18.133369 -18.143924 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201437 logg= -0.006739 ETOT= -18.126235 -18.137709 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100585 logg= -0.003109 ETOT= -9.065939 -9.070889 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.204614 logg= -0.008563 ETOT= -18.101988 -18.121143 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.202781 logg= -0.007663 ETOT= -18.111665 -18.127429 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203864 logg= -0.008207 ETOT= -18.105420 -18.123386 Density= 14.201925 logg= -0.007159 ETOT= -18.119368 -18.132596 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201226 logg= -0.006383 ETOT= -18.130612 -18.140993 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100693 logg= -0.003368 ETOT= -9.075321 -9.082967 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201338 logg= -0.006749 ETOT= -18.129394 -18.140978 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202563 logg= -0.007602 ETOT= -18.115439 -18.130395 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201924 logg= -0.007159 ETOT= -18.119368 -18.132596 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.203864 logg= -0.008207 ETOT= -18.105420 -18.123386 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100587 logg= -0.003110 ETOT= -9.065942 -9.070888 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201109 logg= -0.006593 ETOT= -18.144112 -18.157536 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202781 logg= -0.007663 ETOT= -18.111664 -18.127429 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100556 logg= -0.003130 ETOT= -9.067338 -9.072717 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100559 logg= -0.003130 ETOT= -9.067338 -9.072716 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201323 logg= -0.007012 ETOT= -18.135192 -18.147626 Density= 14.201823 logg= -0.007164 ETOT= -18.122872 -18.135694 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202126 logg= -0.007433 ETOT= -18.121731 -18.135197 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.201575 logg= -0.006899 ETOT= -18.153246 -18.169319 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100564 logg= -0.003256 ETOT= -9.072618 -9.079491 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100840 logg= -0.003476 ETOT= -9.077322 -9.085554 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100840 logg= -0.003476 ETOT= -9.077322 -9.085554 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201336 logg= -0.006749 ETOT= -18.129394 -18.140979 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201141 logg= -0.006805 ETOT= -18.140694 -18.153219 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201600 logg= -0.007136 ETOT= -18.128725 -18.141277 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100531 logg= -0.003177 ETOT= -9.069747 -9.075827 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Sum of eigenvalues= -10422.2788118740 eV TrLogG= -10429.9806337885 eV Ratio to renormalize= 0.999961281904 rho-rho_expected= 0.023231757321 nargs= 1 argi=dmft2.def 36) Finished k-point number 37 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 11) Finished k-point number 12 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 33) Finished k-point number 34 1 with #bands= 476 48) Finished k-point number 49 1 with #bands= 480 3) Finished k-point number 4 1 with #bands= 466 1) Finished k-point number 2 1 with #bands= 470 37) Finished k-point number 38 1 with #bands= 470 38) Finished k-point number 39 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 22) Finished k-point number 23 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 34) Finished k-point number 35 1 with #bands= 476 35) Finished k-point number 36 1 with #bands= 472 40) Finished k-point number 41 1 with #bands= 480 5) Finished k-point number 6 1 with #bands= 472 6) Finished k-point number 7 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 2) Finished k-point number 3 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 14) Finished k-point number 15 1 with #bands= 468 15) Finished k-point number 16 1 with #bands= 468 7) Finished k-point number 8 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 41) Finished k-point number 42 1 with #bands= 480 26) Finished k-point number 27 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 10) Finished k-point number 11 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 27) Finished k-point number 28 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 23) Finished k-point number 24 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 28) Finished k-point number 29 1 with #bands= 468 0) Finished k-point number 1 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 29) Finished k-point number 30 1 with #bands= 468 31) Finished k-point number 32 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 24) Finished k-point number 25 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747887101503839 0.747900929973008 0.757685361632747 0.757665109434637 0.757605418176720 0.757626784964865 0.747887087999242 0.747900938703369 0.757685353613021 0.757665116219971 0.757605426496563 0.757626776747773 0.747896651006657 0.747894018338185 0.757644055631306 0.757702684960343 0.757625194293377 0.757606384888667 0.747896658597673 0.747894022875815 0.757644060168452 0.757702672142249 0.757625195638918 0.757606383327488 0.747907967724571 0.747895113587752 0.757668050123029 0.757684797531352 0.757638145034412 0.757615906535255 0.747907985060975 0.747895125951817 0.757668049003983 0.757684779158593 0.757638156865885 0.757615894768124 0.747901568964523 0.747902743485015 0.757706113980023 0.757649930628841 0.757617849863014 0.757636149763110 0.747901567809071 0.747902735137930 0.757706121447214 0.757649931745881 0.757617847870065 0.757636151325328 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200794 logg= -0.006755 ETOT= -18.138490 -18.150519 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100429 logg= -0.003396 ETOT= -9.072711 -9.079733 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200839 logg= -0.006873 ETOT= -18.144296 -18.158020 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200871 logg= -0.006688 ETOT= -18.133551 -18.144407 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100713 logg= -0.003616 ETOT= -9.077410 -9.085792 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201052 logg= -0.007038 ETOT= -18.149681 -18.164960 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200960 logg= -0.006663 ETOT= -18.130790 -18.141474 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200950 logg= -0.007058 ETOT= -18.134758 -18.146852 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201360 logg= -0.007413 ETOT= -18.128888 -18.141742 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100560 logg= -0.003508 ETOT= -9.075413 -9.083208 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200930 logg= -0.007079 ETOT= -18.146189 -18.160527 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201360 logg= -0.007413 ETOT= -18.128888 -18.141741 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200875 logg= -0.007084 ETOT= -18.140873 -18.153700 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201054 logg= -0.007038 ETOT= -18.149679 -18.164959 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200790 logg= -0.006755 ETOT= -18.138493 -18.150521 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201598 logg= -0.007443 ETOT= -18.123026 -18.136152 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200835 logg= -0.006874 ETOT= -18.144299 -18.158023 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.204380 logg= -0.008839 ETOT= -18.102149 -18.121604 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.201707 logg= -0.007438 ETOT= -18.119520 -18.133050 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201707 logg= -0.007438 ETOT= -18.119520 -18.133050 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200875 logg= -0.006688 ETOT= -18.133551 -18.144405 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201093 logg= -0.007028 ETOT= -18.129562 -18.141448 Density= 7.100392 logg= -0.003318 ETOT= -9.069842 -9.076072 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 3.550384 logg= -0.001830 ETOT= -4.539120 -4.543418 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201197 logg= -0.007018 ETOT= -18.126400 -18.138176 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100449 logg= -0.003249 ETOT= -9.066033 -9.071132 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202345 logg= -0.007879 ETOT= -18.115589 -18.130848 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201898 logg= -0.007710 ETOT= -18.121886 -18.135656 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203641 logg= -0.008484 ETOT= -18.105573 -18.123842 Density= 14.202570 logg= -0.007940 ETOT= -18.111812 -18.127879 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202345 logg= -0.007879 ETOT= -18.115589 -18.130848 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202570 logg= -0.007940 ETOT= -18.111812 -18.127879 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203135 logg= -0.008261 ETOT= -18.109184 -18.126388 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100420 logg= -0.003271 ETOT= -9.067431 -9.072961 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203641 logg= -0.008484 ETOT= -18.105574 -18.123842 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200962 logg= -0.006664 ETOT= -18.130793 -18.141474 Density= 7.100451 logg= -0.003250 ETOT= -9.066036 -9.071132 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100422 logg= -0.003271 ETOT= -9.067432 -9.072960 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200874 logg= -0.007084 ETOT= -18.140874 -18.153701 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100559 logg= -0.003508 ETOT= -9.075414 -9.083209 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201314 logg= -0.007179 ETOT= -18.153425 -18.169799 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.200952 logg= -0.007058 ETOT= -18.134756 -18.146851 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201091 logg= -0.007028 ETOT= -18.129562 -18.141449 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100713 logg= -0.003616 ETOT= -9.077410 -9.085792 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201196 logg= -0.007018 ETOT= -18.126400 -18.138176 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201067 logg= -0.007290 ETOT= -18.135363 -18.148100 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201597 logg= -0.007443 ETOT= -18.123027 -18.136152 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100395 logg= -0.003318 ETOT= -9.069841 -9.076070 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100427 logg= -0.003396 ETOT= -9.072713 -9.079735 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Sum of eigenvalues= -10422.3766857417 eV TrLogG= -10430.2516903303 eV Ratio to renormalize= 0.999978767159 rho-rho_expected= 0.012739974812 nargs= 1 argi=dmft2.def 8) Finished k-point number 9 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 43) Finished k-point number 44 1 with #bands= 472 3) Finished k-point number 4 1 with #bands= 466 20) Finished k-point number 21 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 32) Finished k-point number 33 1 with #bands= 476 28) Finished k-point number 29 1 with #bands= 468 0) Finished k-point number 1 1 with #bands= 468 29) Finished k-point number 30 1 with #bands= 468 13) Finished k-point number 14 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 36) Finished k-point number 37 1 with #bands= 470 6) Finished k-point number 7 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 5) Finished k-point number 6 1 with #bands= 472 39) Finished k-point number 40 1 with #bands= 476 11) Finished k-point number 12 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 34) Finished k-point number 35 1 with #bands= 476 1) Finished k-point number 2 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 14) Finished k-point number 15 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 25) Finished k-point number 26 1 with #bands= 472 33) Finished k-point number 34 1 with #bands= 476 15) Finished k-point number 16 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 40) Finished k-point number 41 1 with #bands= 480 27) Finished k-point number 28 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 16) Finished k-point number 17 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 23) Finished k-point number 24 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747894393625032 0.747905163915516 0.757691870455099 0.757670111300200 0.757613771550979 0.757633567908760 0.747894374940023 0.747905171700672 0.757691862216998 0.757670119491326 0.757613756143751 0.757633583396372 0.747903723697759 0.747897991285130 0.757651611670349 0.757711249293245 0.757633881175756 0.757613187746821 0.747903721300277 0.747898009614241 0.757651607389783 0.757711231412651 0.757633877188755 0.757613191402285 0.747906926372449 0.747893422712714 0.757673033431781 0.757691212625508 0.757633596464411 0.757614218576916 0.747906921837713 0.747893409381854 0.757673049191321 0.757691222520664 0.757633598208366 0.757614216962955 0.747900641700482 0.747904731841099 0.757713012943265 0.757653177072999 0.757613922595965 0.757634723135109 0.747900649149624 0.747904738800778 0.757713012465072 0.757653167394008 0.757613927603366 0.757634717690871 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200690 logg= -0.007178 ETOT= -18.144184 -18.158286 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200777 logg= -0.006970 ETOT= -18.130700 -18.141755 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200695 logg= -0.006994 ETOT= -18.133457 -18.144685 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200893 logg= -0.007335 ETOT= -18.129480 -18.141738 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200627 logg= -0.007061 ETOT= -18.138390 -18.150795 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200686 logg= -0.007178 ETOT= -18.144187 -18.158288 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201693 logg= -0.008015 ETOT= -18.121806 -18.135952 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200775 logg= -0.007363 ETOT= -18.134661 -18.147127 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200777 logg= -0.007363 ETOT= -18.134659 -18.147126 Density= 14.200795 logg= -0.007383 ETOT= -18.146068 -18.160785 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201171 logg= -0.007719 ETOT= -18.128799 -18.142024 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200917 logg= -0.007341 ETOT= -18.149559 -18.165217 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200631 logg= -0.007061 ETOT= -18.138388 -18.150793 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200915 logg= -0.007341 ETOT= -18.149561 -18.165218 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100490 logg= -0.003659 ETOT= -9.075354 -9.083338 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201474 logg= -0.007744 ETOT= -18.119457 -18.133363 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.202124 logg= -0.008185 ETOT= -18.115518 -18.131153 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550360 logg= -0.001905 ETOT= -4.539083 -4.543476 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.202123 logg= -0.008185 ETOT= -18.115518 -18.131153 Density= 14.200699 logg= -0.006995 ETOT= -18.133456 -18.144683 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200780 logg= -0.006971 ETOT= -18.130703 -18.141754 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200895 logg= -0.007335 ETOT= -18.129479 -18.141737 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200987 logg= -0.007325 ETOT= -18.126325 -18.138472 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202336 logg= -0.008246 ETOT= -18.111748 -18.128191 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201381 logg= -0.007749 ETOT= -18.122954 -18.136455 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100365 logg= -0.003403 ETOT= -9.065984 -9.071271 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202337 logg= -0.008246 ETOT= -18.111748 -18.128191 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204187 logg= -0.009143 ETOT= -18.102059 -18.121894 Density= 14.202919 logg= -0.008567 ETOT= -18.109110 -18.126690 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200726 logg= -0.007389 ETOT= -18.140760 -18.153965 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201474 logg= -0.007744 ETOT= -18.119457 -18.133363 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.203429 logg= -0.008789 ETOT= -18.105496 -18.124142 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100339 logg= -0.003424 ETOT= -9.067383 -9.073097 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100337 logg= -0.003424 ETOT= -9.067382 -9.073098 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203429 logg= -0.008789 ETOT= -18.105496 -18.124142 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100367 logg= -0.003404 ETOT= -9.065987 -9.071270 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201170 logg= -0.007719 ETOT= -18.128799 -18.142025 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100312 logg= -0.003471 ETOT= -9.069790 -9.076208 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100351 logg= -0.003548 ETOT= -9.072658 -9.079868 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.200725 logg= -0.007389 ETOT= -18.140762 -18.153966 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100353 logg= -0.003548 ETOT= -9.072656 -9.079867 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200985 logg= -0.007325 ETOT= -18.126325 -18.138473 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200904 logg= -0.007594 ETOT= -18.135259 -18.148368 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201186 logg= -0.007481 ETOT= -18.153298 -18.170050 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.201381 logg= -0.007749 ETOT= -18.122954 -18.136456 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100653 logg= -0.003766 ETOT= -9.077344 -9.085916 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100488 logg= -0.003659 ETOT= -9.075355 -9.083339 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100315 logg= -0.003471 ETOT= -9.069789 -9.076207 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100652 logg= -0.003767 ETOT= -9.077345 -9.085916 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10422.3232133061 eV TrLogG= -10430.4138476624 eV Ratio to renormalize= 0.999991543020 rho-rho_expected= 0.005074231009 nargs= 1 argi=dmft2.def 37) Finished k-point number 38 1 with #bands= 470 45) Finished k-point number 46 1 with #bands= 472 25) Finished k-point number 26 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 36) Finished k-point number 37 1 with #bands= 470 48) Finished k-point number 49 1 with #bands= 480 10) Finished k-point number 11 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 14) Finished k-point number 15 1 with #bands= 468 39) Finished k-point number 40 1 with #bands= 476 15) Finished k-point number 16 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 6) Finished k-point number 7 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 19) Finished k-point number 20 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 5) Finished k-point number 6 1 with #bands= 472 1) Finished k-point number 2 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 0) Finished k-point number 1 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 33) Finished k-point number 34 1 with #bands= 476 43) Finished k-point number 44 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 12) Finished k-point number 13 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 42) Finished k-point number 43 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 31) Finished k-point number 32 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 40) Finished k-point number 41 1 with #bands= 480 28) Finished k-point number 29 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 23) Finished k-point number 24 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 24) Finished k-point number 25 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747894913898076 0.747906077211701 0.757690972446278 0.757672407450782 0.757613929180370 0.757634757239551 0.747894901973659 0.747906080684644 0.757690965091071 0.757672412122700 0.757613923942449 0.757634762569987 0.747902204365864 0.747898810490888 0.757653781952831 0.757712867120143 0.757633099221815 0.757615302334995 0.747902148517955 0.747898850283407 0.757653788184968 0.757712878273587 0.757633098368480 0.757615302820984 0.747906276349325 0.747894332511428 0.757674532556327 0.757690869604024 0.757635210287525 0.757613141414083 0.747906289017873 0.747894337395671 0.757674540751400 0.757690857194173 0.757635228553601 0.757613123286218 0.747899545854691 0.747902546544210 0.757713970540532 0.757656778426672 0.757616018058933 0.757633087430714 0.747899544399005 0.747902540314303 0.757713976036384 0.757656778948497 0.757616006307824 0.757633098653700 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200810 logg= -0.006935 ETOT= -18.140763 -18.153437 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200885 logg= -0.006908 ETOT= -18.134649 -18.146584 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201640 logg= -0.007291 ETOT= -18.119415 -18.132791 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200887 logg= -0.006908 ETOT= -18.134647 -18.146583 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200812 logg= -0.006935 ETOT= -18.140762 -18.153436 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200897 logg= -0.006511 ETOT= -18.130675 -18.141202 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200807 logg= -0.006536 ETOT= -18.133437 -18.144137 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201296 logg= -0.007266 ETOT= -18.128781 -18.141475 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200726 logg= -0.006604 ETOT= -18.138379 -18.150255 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200987 logg= -0.006888 ETOT= -18.149568 -18.164696 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100364 logg= -0.003242 ETOT= -9.069782 -9.075936 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200866 logg= -0.006929 ETOT= -18.146077 -18.160264 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200772 logg= -0.006723 ETOT= -18.144185 -18.157757 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200985 logg= -0.006888 ETOT= -18.149570 -18.164697 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201130 logg= -0.006869 ETOT= -18.126291 -18.137910 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202288 logg= -0.007734 ETOT= -18.115479 -18.130585 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202288 logg= -0.007734 ETOT= -18.115479 -18.130584 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204365 logg= -0.008697 ETOT= -18.102016 -18.121322 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 7.100525 logg= -0.003432 ETOT= -9.075357 -9.083077 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201533 logg= -0.007296 ETOT= -18.122920 -18.135892 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201640 logg= -0.007291 ETOT= -18.119414 -18.132791 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 3.550345 logg= -0.001793 ETOT= -4.539104 -4.543364 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201027 logg= -0.006879 ETOT= -18.129453 -18.141181 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203092 logg= -0.008118 ETOT= -18.109068 -18.126118 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201004 logg= -0.007142 ETOT= -18.135255 -18.147832 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100418 logg= -0.003173 ETOT= -9.065974 -9.070997 Density= 14.200900 logg= -0.006512 ETOT= -18.130678 -18.141202 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201025 logg= -0.006879 ETOT= -18.129454 -18.141182 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202513 logg= -0.007795 ETOT= -18.111702 -18.127615 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203608 logg= -0.008341 ETOT= -18.105451 -18.123568 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.201131 logg= -0.006869 ETOT= -18.126292 -18.137909 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202514 logg= -0.007795 ETOT= -18.111701 -18.127615 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200776 logg= -0.006723 ETOT= -18.144182 -18.157755 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.203608 logg= -0.008341 ETOT= -18.105451 -18.123568 Density= 14.200811 logg= -0.006537 ETOT= -18.133436 -18.144135 Density= 14.201532 logg= -0.007296 ETOT= -18.122921 -18.135892 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100420 logg= -0.003173 ETOT= -9.065977 -9.070997 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100389 logg= -0.003194 ETOT= -9.067372 -9.072826 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100391 logg= -0.003194 ETOT= -9.067373 -9.072825 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100396 logg= -0.003320 ETOT= -9.072655 -9.079601 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201297 logg= -0.007266 ETOT= -18.128781 -18.141475 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201225 logg= -0.007029 ETOT= -18.153326 -18.169548 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100658 logg= -0.003541 ETOT= -9.077366 -9.085673 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100657 logg= -0.003541 ETOT= -9.077367 -9.085673 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200731 logg= -0.006604 ETOT= -18.138376 -18.150253 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100524 logg= -0.003433 ETOT= -9.075358 -9.083078 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100398 logg= -0.003320 ETOT= -9.072653 -9.079600 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201839 logg= -0.007564 ETOT= -18.121778 -18.135393 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 7.100361 logg= -0.003242 ETOT= -9.069783 -9.075938 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Sum of eigenvalues= -10422.3129111431 eV TrLogG= -10430.0993027779 eV Ratio to renormalize= 0.999983178318 rho-rho_expected= 0.010093179273 nargs= 1 argi=dmft2.def 28) Finished k-point number 29 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 46) Finished k-point number 47 1 with #bands= 476 1) Finished k-point number 2 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 25) Finished k-point number 26 1 with #bands= 472 40) Finished k-point number 41 1 with #bands= 480 4) Finished k-point number 5 1 with #bands= 468 15) Finished k-point number 16 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 36) Finished k-point number 37 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 37) Finished k-point number 38 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 27) Finished k-point number 28 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 29) Finished k-point number 30 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 39) Finished k-point number 40 1 with #bands= 476 33) Finished k-point number 34 1 with #bands= 476 0) Finished k-point number 1 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 43) Finished k-point number 44 1 with #bands= 472 10) Finished k-point number 11 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 34) Finished k-point number 35 1 with #bands= 476 48) Finished k-point number 49 1 with #bands= 480 20) Finished k-point number 21 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 9) Finished k-point number 10 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747895266622105 0.747906431875038 0.757689487017671 0.757671081037032 0.757612712889295 0.757634961136250 0.747895253504869 0.747906435212046 0.757689492467091 0.757671080147493 0.757612706276842 0.757634967886183 0.747902311250142 0.747900167332360 0.757652121012928 0.757710678250484 0.757633396744065 0.757613961790641 0.747902310391198 0.747900224787201 0.757652102891319 0.757710657132694 0.757633398573436 0.757613959549344 0.747905943052625 0.747894341122739 0.757673149368841 0.757690870650296 0.757635055977369 0.757612914211632 0.747905958101260 0.747894345300724 0.757673159424374 0.757690852065079 0.757635058109182 0.757612912269059 0.747899486253056 0.747903041172855 0.757713571724577 0.757654412044780 0.757614362007837 0.757634272208344 0.747899469465275 0.747903029349107 0.757713582700187 0.757654429937176 0.757614363458087 0.757634270174977 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201549 logg= -0.006970 ETOT= -18.122915 -18.135533 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201866 logg= -0.007238 ETOT= -18.121767 -18.135027 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 7.100376 logg= -0.003080 ETOT= -9.069776 -9.075756 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100556 logg= -0.003270 ETOT= -9.075341 -9.082887 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200925 logg= -0.006584 ETOT= -18.134628 -18.146213 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200870 logg= -0.006610 ETOT= -18.140732 -18.153056 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200830 logg= -0.006212 ETOT= -18.133426 -18.143776 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200912 logg= -0.006188 ETOT= -18.130669 -18.140846 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200762 logg= -0.006280 ETOT= -18.138361 -18.149888 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100557 logg= -0.003270 ETOT= -9.075340 -9.082886 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201054 logg= -0.006563 ETOT= -18.149531 -18.164311 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200823 logg= -0.006399 ETOT= -18.144158 -18.157381 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201647 logg= -0.006965 ETOT= -18.119414 -18.132437 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201053 logg= -0.006563 ETOT= -18.149533 -18.164312 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100417 logg= -0.003159 ETOT= -9.072644 -9.079416 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201648 logg= -0.006965 ETOT= -18.119414 -18.132437 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201044 logg= -0.006555 ETOT= -18.129446 -18.140822 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200834 logg= -0.006213 ETOT= -18.133426 -18.143775 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201140 logg= -0.006544 ETOT= -18.126289 -18.137555 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200937 logg= -0.006605 ETOT= -18.146039 -18.159877 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.203118 logg= -0.007789 ETOT= -18.109058 -18.125752 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201550 logg= -0.006970 ETOT= -18.122914 -18.135532 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203636 logg= -0.008012 ETOT= -18.105440 -18.123200 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.202309 logg= -0.007407 ETOT= -18.115472 -18.130222 Density= 14.202529 logg= -0.007468 ETOT= -18.111698 -18.127255 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201046 logg= -0.006555 ETOT= -18.129445 -18.140821 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100427 logg= -0.003011 ETOT= -9.065970 -9.070818 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202309 logg= -0.007407 ETOT= -18.115472 -18.130222 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201056 logg= -0.006817 ETOT= -18.135228 -18.147454 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 3.550391 logg= -0.001711 ETOT= -4.539078 -4.543252 Density= 7.100400 logg= -0.003032 ETOT= -9.067367 -9.072646 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201141 logg= -0.006545 ETOT= -18.126289 -18.137555 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204402 logg= -0.008367 ETOT= -18.102000 -18.120948 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 14.200915 logg= -0.006188 ETOT= -18.130672 -18.140845 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202528 logg= -0.007468 ETOT= -18.111698 -18.127255 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203636 logg= -0.008012 ETOT= -18.105440 -18.123200 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100429 logg= -0.003012 ETOT= -9.065973 -9.070818 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100402 logg= -0.003033 ETOT= -9.067368 -9.072645 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201322 logg= -0.006703 ETOT= -18.153272 -18.169146 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.200923 logg= -0.006584 ETOT= -18.134630 -18.146215 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201330 logg= -0.006941 ETOT= -18.128765 -18.141107 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200826 logg= -0.006399 ETOT= -18.144155 -18.157379 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100719 logg= -0.003378 ETOT= -9.077332 -9.085465 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201331 logg= -0.006941 ETOT= -18.128765 -18.141106 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100379 logg= -0.003080 ETOT= -9.069775 -9.075754 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200766 logg= -0.006280 ETOT= -18.138358 -18.149885 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100419 logg= -0.003158 ETOT= -9.072642 -9.079414 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200871 logg= -0.006610 ETOT= -18.140730 -18.153055 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100719 logg= -0.003378 ETOT= -9.077332 -9.085465 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10422.3027056178 eV TrLogG= -10429.8869945802 eV Ratio to renormalize= 0.999980619360 rho-rho_expected= 0.011628609083 nargs= 1 argi=dmft2.def 38) Finished k-point number 39 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 25) Finished k-point number 26 1 with #bands= 472 36) Finished k-point number 37 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 40) Finished k-point number 41 1 with #bands= 480 34) Finished k-point number 35 1 with #bands= 476 43) Finished k-point number 44 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 4) Finished k-point number 5 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 13) Finished k-point number 14 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 12) Finished k-point number 13 1 with #bands= 470 6) Finished k-point number 7 1 with #bands= 472 10) Finished k-point number 11 1 with #bands= 468 18) Finished k-point number 19 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 2) Finished k-point number 3 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 39) Finished k-point number 40 1 with #bands= 476 1) Finished k-point number 2 1 with #bands= 470 15) Finished k-point number 16 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 44) Finished k-point number 45 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 47) Finished k-point number 48 1 with #bands= 480 31) Finished k-point number 32 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 29) Finished k-point number 30 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 45) Finished k-point number 46 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 16) Finished k-point number 17 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 27) Finished k-point number 28 1 with #bands= 472 24) Finished k-point number 25 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747894741410522 0.747904715759263 0.757689809989322 0.757671359948398 0.757612588661352 0.757634441113985 0.747894731048413 0.747904718421601 0.757689815277825 0.757671353112417 0.757612583492194 0.757634446354801 0.747902136046983 0.747897269822257 0.757652026195484 0.757711986430145 0.757632196619831 0.757614480341313 0.747902142639810 0.747897286205004 0.757652003410185 0.757711986546737 0.757632196900270 0.757614479699055 0.747907790683737 0.747893411261056 0.757671897455944 0.757688383607934 0.757634336064470 0.757612835584485 0.747907798957014 0.747893397043203 0.757671908993093 0.757688386779902 0.757634344140214 0.757612827704854 0.747900197145966 0.747902208305859 0.757711203937296 0.757653683351690 0.757614837532871 0.757632847294033 0.747900205035884 0.747902230898850 0.757711214517368 0.757653633454377 0.757614839485703 0.757632844753763 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201087 logg= -0.006974 ETOT= -18.140575 -18.153272 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100524 logg= -0.003341 ETOT= -9.072567 -9.079524 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201295 logg= -0.006919 ETOT= -18.129270 -18.141020 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201073 logg= -0.006576 ETOT= -18.133256 -18.143978 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201161 logg= -0.006552 ETOT= -18.130495 -18.141045 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201280 logg= -0.007181 ETOT= -18.135066 -18.147666 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201397 logg= -0.006908 ETOT= -18.126109 -18.137750 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201138 logg= -0.006969 ETOT= -18.145891 -18.160101 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201040 logg= -0.006763 ETOT= -18.144001 -18.157596 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200998 logg= -0.006644 ETOT= -18.138194 -18.150093 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100654 logg= -0.003453 ETOT= -9.075269 -9.083000 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200993 logg= -0.006644 ETOT= -18.138197 -18.150096 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201037 logg= -0.006763 ETOT= -18.144004 -18.157598 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201249 logg= -0.006928 ETOT= -18.149388 -18.164539 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201248 logg= -0.006928 ETOT= -18.149390 -18.164540 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201161 logg= -0.006948 ETOT= -18.134460 -18.146419 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202533 logg= -0.007772 ETOT= -18.115309 -18.130434 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201795 logg= -0.007334 ETOT= -18.122740 -18.135733 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201795 logg= -0.007334 ETOT= -18.122740 -18.135733 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202533 logg= -0.007772 ETOT= -18.115309 -18.130434 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201899 logg= -0.007330 ETOT= -18.119236 -18.132634 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201296 logg= -0.006919 ETOT= -18.129269 -18.141019 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550427 logg= -0.001803 ETOT= -4.539051 -4.543316 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201164 logg= -0.006553 ETOT= -18.130498 -18.141044 Density= 14.201078 logg= -0.006577 ETOT= -18.133255 -18.143977 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202751 logg= -0.007833 ETOT= -18.111536 -18.127469 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202751 logg= -0.007833 ETOT= -18.111536 -18.127469 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201398 logg= -0.006909 ETOT= -18.126110 -18.137750 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203313 logg= -0.008155 ETOT= -18.108911 -18.125981 Density= 7.100494 logg= -0.003262 ETOT= -9.069694 -9.075859 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100491 logg= -0.003262 ETOT= -9.069695 -9.075860 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201899 logg= -0.007329 ETOT= -18.119237 -18.132635 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.204541 logg= -0.008733 ETOT= -18.101886 -18.121207 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 14.203811 logg= -0.008377 ETOT= -18.105305 -18.123440 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.201088 logg= -0.006974 ETOT= -18.140573 -18.153271 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100549 logg= -0.003193 ETOT= -9.065885 -9.070919 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203811 logg= -0.008377 ETOT= -18.105305 -18.123440 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100522 logg= -0.003215 ETOT= -9.067284 -9.072747 Density= 7.100519 logg= -0.003214 ETOT= -9.067284 -9.072748 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100550 logg= -0.003194 ETOT= -9.065888 -9.070919 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201566 logg= -0.007305 ETOT= -18.128596 -18.141313 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202096 logg= -0.007602 ETOT= -18.121601 -18.135236 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.201498 logg= -0.007069 ETOT= -18.153141 -18.169386 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.201159 logg= -0.006948 ETOT= -18.134462 -18.146420 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100653 logg= -0.003453 ETOT= -9.075270 -9.083001 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100801 logg= -0.003561 ETOT= -9.077270 -9.085588 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100802 logg= -0.003561 ETOT= -9.077270 -9.085588 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201566 logg= -0.007305 ETOT= -18.128596 -18.141312 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100526 logg= -0.003340 ETOT= -9.072565 -9.079523 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Sum of eigenvalues= -10422.2109064213 eV TrLogG= -10430.0097364707 eV Ratio to renormalize= 0.999964984430 rho-rho_expected= 0.021010077924 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 470 48) Finished k-point number 49 1 with #bands= 480 25) Finished k-point number 26 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 15) Finished k-point number 16 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 40) Finished k-point number 41 1 with #bands= 480 42) Finished k-point number 43 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 39) Finished k-point number 40 1 with #bands= 476 16) Finished k-point number 17 1 with #bands= 468 38) Finished k-point number 39 1 with #bands= 470 6) Finished k-point number 7 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 13) Finished k-point number 14 1 with #bands= 472 34) Finished k-point number 35 1 with #bands= 476 9) Finished k-point number 10 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 36) Finished k-point number 37 1 with #bands= 470 8) Finished k-point number 9 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 32) Finished k-point number 33 1 with #bands= 476 5) Finished k-point number 6 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 43) Finished k-point number 44 1 with #bands= 472 27) Finished k-point number 28 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 33) Finished k-point number 34 1 with #bands= 476 7) Finished k-point number 8 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 4) Finished k-point number 5 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 21) Finished k-point number 22 1 with #bands= 466 20) Finished k-point number 21 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 24) Finished k-point number 25 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 17) Finished k-point number 18 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747893434078151 0.747905487548995 0.757688046623888 0.757667660257019 0.757610907519692 0.757634089929151 0.747893422292922 0.747905491696151 0.757688041085254 0.757667668344530 0.757610902360585 0.757634095065308 0.747900048158871 0.747900311988570 0.757648820074025 0.757707295019091 0.757633330451936 0.757611212620412 0.747900043753271 0.747900335438047 0.757648825960247 0.757707280507988 0.757633331182019 0.757611211712149 0.747905000988263 0.747894017298613 0.757670300859728 0.757686428322900 0.757633800536680 0.757611640381531 0.747905007348173 0.747894019386012 0.757670309969679 0.757686434665201 0.757633805494381 0.757611635551637 0.747898026753317 0.747898979361213 0.757709487198210 0.757653343415018 0.757611656634198 0.757633729208040 0.747898035985877 0.747898999672208 0.757709480742130 0.757653323963220 0.757611658244747 0.757633727191035 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201386 logg= -0.007889 ETOT= -18.128494 -18.141871 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100436 logg= -0.003637 ETOT= -9.072523 -9.079807 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201215 logg= -0.007498 ETOT= -18.126013 -18.138314 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200980 logg= -0.007146 ETOT= -18.130407 -18.141614 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200893 logg= -0.007171 ETOT= -18.133168 -18.144547 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200980 logg= -0.007537 ETOT= -18.134365 -18.146983 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201075 logg= -0.007519 ETOT= -18.149297 -18.165101 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201113 logg= -0.007508 ETOT= -18.129174 -18.141585 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200978 logg= -0.007537 ETOT= -18.134367 -18.146985 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200860 logg= -0.007355 ETOT= -18.143914 -18.158163 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200907 logg= -0.007564 ETOT= -18.140481 -18.153835 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201724 logg= -0.007913 ETOT= -18.119130 -18.133190 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200814 logg= -0.007238 ETOT= -18.138109 -18.150663 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200962 logg= -0.007559 ETOT= -18.145798 -18.160663 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201077 logg= -0.007518 ETOT= -18.149295 -18.165099 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100569 logg= -0.003748 ETOT= -9.075223 -9.083280 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100459 logg= -0.003492 ETOT= -9.065844 -9.071205 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202365 logg= -0.008351 ETOT= -18.115194 -18.130980 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200983 logg= -0.007147 ETOT= -18.130410 -18.141614 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201115 logg= -0.007508 ETOT= -18.129174 -18.141584 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203156 logg= -0.008729 ETOT= -18.108786 -18.126516 Density= 3.550390 logg= -0.001950 ETOT= -4.539023 -4.543452 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.202588 logg= -0.008411 ETOT= -18.111417 -18.128012 Density= 14.201217 logg= -0.007498 ETOT= -18.126013 -18.138314 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200908 logg= -0.007564 ETOT= -18.140479 -18.153834 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202365 logg= -0.008351 ETOT= -18.115194 -18.130980 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202588 logg= -0.008411 ETOT= -18.111418 -18.128012 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201618 logg= -0.007918 ETOT= -18.122635 -18.136289 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200897 logg= -0.007171 ETOT= -18.133168 -18.144546 Density= 14.201724 logg= -0.007913 ETOT= -18.119130 -18.133189 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.204402 logg= -0.009301 ETOT= -18.101747 -18.121727 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 14.203662 logg= -0.008949 ETOT= -18.105174 -18.123969 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100430 logg= -0.003513 ETOT= -9.067242 -9.073034 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203662 logg= -0.008949 ETOT= -18.105174 -18.123969 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.200863 logg= -0.007355 ETOT= -18.143911 -18.158161 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100461 logg= -0.003493 ETOT= -9.065847 -9.071205 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100432 logg= -0.003513 ETOT= -9.067243 -9.073033 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201334 logg= -0.007658 ETOT= -18.153043 -18.169940 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=692 Density= 14.200818 logg= -0.007238 ETOT= -18.138106 -18.150661 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100404 logg= -0.003560 ETOT= -9.069651 -9.076143 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201386 logg= -0.007889 ETOT= -18.128493 -18.141871 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100402 logg= -0.003560 ETOT= -9.069652 -9.076145 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201100 logg= -0.007767 ETOT= -18.134967 -18.148227 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100722 logg= -0.003855 ETOT= -9.077219 -9.085863 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100722 logg= -0.003855 ETOT= -9.077219 -9.085863 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201617 logg= -0.007918 ETOT= -18.122636 -18.136290 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201921 logg= -0.008183 ETOT= -18.121491 -18.135788 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=692 Density= 7.100439 logg= -0.003637 ETOT= -9.072521 -9.079806 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100568 logg= -0.003748 ETOT= -9.075224 -9.083281 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Sum of eigenvalues= -10422.1532539095 eV TrLogG= -10430.3302893103 eV Ratio to renormalize= 0.999977191799 rho-rho_expected= 0.013685232655 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 480 36) Finished k-point number 37 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 42) Finished k-point number 43 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 15) Finished k-point number 16 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 9) Finished k-point number 10 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 13) Finished k-point number 14 1 with #bands= 472 8) Finished k-point number 9 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 38) Finished k-point number 39 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 39) Finished k-point number 40 1 with #bands= 476 12) Finished k-point number 13 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 33) Finished k-point number 34 1 with #bands= 476 40) Finished k-point number 41 1 with #bands= 480 6) Finished k-point number 7 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 27) Finished k-point number 28 1 with #bands= 472 25) Finished k-point number 26 1 with #bands= 472 4) Finished k-point number 5 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 1) Finished k-point number 2 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 18) Finished k-point number 19 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 16) Finished k-point number 17 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 45) Finished k-point number 46 1 with #bands= 472 20) Finished k-point number 21 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747893834391112 0.747905793557547 0.757685837260353 0.757668373990390 0.757610663485937 0.757633701112844 0.747893824690909 0.747905794549840 0.757685823135776 0.757668385967811 0.757610658123661 0.757633706449420 0.747900883936645 0.747900620625856 0.757647674286084 0.757705979624674 0.757631082508255 0.757612810872496 0.747900883171326 0.747900630233878 0.757647670658267 0.757705974015842 0.757631082201340 0.757612810981187 0.747905581772850 0.747893588811951 0.757669698191904 0.757684825594025 0.757634005034415 0.757610916740765 0.747905570984480 0.747893478534057 0.757669798564172 0.757684837309410 0.757634011674368 0.757610910175470 0.747899269249791 0.747900330302382 0.757706636963873 0.757651258076860 0.757613264843133 0.757631579255969 0.747899277836411 0.747900380074692 0.757706603996555 0.757651241652707 0.757613264214673 0.757631579555327 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201197 logg= -0.006606 ETOT= -18.140351 -18.152652 Density= 14.201393 logg= -0.006550 ETOT= -18.129053 -18.140407 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100550 logg= -0.003078 ETOT= -9.069582 -9.075549 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201181 logg= -0.006208 ETOT= -18.133035 -18.143360 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201105 logg= -0.006276 ETOT= -18.137974 -18.149476 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201157 logg= -0.006395 ETOT= -18.143776 -18.156975 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202202 logg= -0.007231 ETOT= -18.121377 -18.134617 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201260 logg= -0.006579 ETOT= -18.134244 -18.145805 Density= 14.201268 logg= -0.006184 ETOT= -18.130275 -18.140428 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201259 logg= -0.006601 ETOT= -18.145663 -18.159476 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201379 logg= -0.006560 ETOT= -18.149156 -18.163910 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100722 logg= -0.003268 ETOT= -9.075150 -9.082684 Density= 14.201381 logg= -0.006559 ETOT= -18.149154 -18.163908 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100587 logg= -0.003157 ETOT= -9.072452 -9.079211 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201395 logg= -0.006550 ETOT= -18.129052 -18.140406 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202000 logg= -0.006959 ETOT= -18.119016 -18.132018 Density= 14.201494 logg= -0.006539 ETOT= -18.125893 -18.137137 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550472 logg= -0.001710 ETOT= -4.538984 -4.543152 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.203450 logg= -0.007783 ETOT= -18.108668 -18.125342 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201495 logg= -0.006540 ETOT= -18.125893 -18.137136 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202648 logg= -0.007401 ETOT= -18.115080 -18.129809 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201185 logg= -0.006209 ETOT= -18.133035 -18.143359 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202648 logg= -0.007401 ETOT= -18.115080 -18.129809 Density= 14.204718 logg= -0.008360 ETOT= -18.101619 -18.120546 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 7.100606 logg= -0.003010 ETOT= -9.065774 -9.070609 Density= 14.201895 logg= -0.006964 ETOT= -18.122520 -18.135117 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203964 logg= -0.008005 ETOT= -18.105053 -18.122793 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100577 logg= -0.003031 ETOT= -9.067172 -9.072438 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201271 logg= -0.006185 ETOT= -18.130279 -18.140427 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202872 logg= -0.007461 ETOT= -18.111303 -18.126840 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203964 logg= -0.008005 ETOT= -18.105053 -18.122792 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201665 logg= -0.006935 ETOT= -18.128378 -18.140698 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100608 logg= -0.003010 ETOT= -9.065777 -9.070609 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100579 logg= -0.003031 ETOT= -9.067173 -9.072437 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201665 logg= -0.006935 ETOT= -18.128377 -18.140697 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202872 logg= -0.007461 ETOT= -18.111303 -18.126840 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201195 logg= -0.006606 ETOT= -18.140353 -18.152653 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100721 logg= -0.003269 ETOT= -9.075152 -9.082685 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.201381 logg= -0.006812 ETOT= -18.134847 -18.147051 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201645 logg= -0.006700 ETOT= -18.152897 -18.168746 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100880 logg= -0.003376 ETOT= -9.077144 -9.085265 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100880 logg= -0.003376 ETOT= -9.077145 -9.085265 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201895 logg= -0.006964 ETOT= -18.122521 -18.135117 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202000 logg= -0.006959 ETOT= -18.119016 -18.132018 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100553 logg= -0.003078 ETOT= -9.069581 -9.075547 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201109 logg= -0.006276 ETOT= -18.137972 -18.149474 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100589 logg= -0.003157 ETOT= -9.072450 -9.079210 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201160 logg= -0.006395 ETOT= -18.143773 -18.156972 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201262 logg= -0.006579 ETOT= -18.134242 -18.145804 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Sum of eigenvalues= -10422.0799776436 eV TrLogG= -10429.6509625937 eV Ratio to renormalize= 0.999956748152 rho-rho_expected= 0.025952231230 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 33) Finished k-point number 34 1 with #bands= 476 13) Finished k-point number 14 1 with #bands= 472 4) Finished k-point number 5 1 with #bands= 468 39) Finished k-point number 40 1 with #bands= 476 48) Finished k-point number 49 1 with #bands= 480 11) Finished k-point number 12 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 8) Finished k-point number 9 1 with #bands= 468 34) Finished k-point number 35 1 with #bands= 476 14) Finished k-point number 15 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 1) Finished k-point number 2 1 with #bands= 470 38) Finished k-point number 39 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 36) Finished k-point number 37 1 with #bands= 470 37) Finished k-point number 38 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 15) Finished k-point number 16 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 2) Finished k-point number 3 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 12) Finished k-point number 13 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 0) Finished k-point number 1 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 31) Finished k-point number 32 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 22) Finished k-point number 23 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 27) Finished k-point number 28 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 26) Finished k-point number 27 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890654453228 0.747904880976456 0.757685105744440 0.757666436916330 0.757609283500308 0.757631270973473 0.747890647224653 0.747904889381696 0.757685097318376 0.757666437832600 0.757609284474954 0.757631269961582 0.747898868810952 0.747899740813722 0.757646425426458 0.757704427108582 0.757629720793773 0.757610378267323 0.747898861191122 0.747899736219430 0.757646438701500 0.757704426601253 0.757629720605217 0.757610378245797 0.747903568807211 0.747892516266413 0.757666469593740 0.757683984373985 0.757631471539706 0.757610124391778 0.747903626880755 0.747892513365970 0.757666457291910 0.757683952881034 0.757631476111779 0.757610119980789 0.747896561635260 0.747898236486555 0.757704857686043 0.757651934985108 0.757610783423960 0.757630973727290 0.747896518301447 0.747898207846314 0.757704954681128 0.757651909330451 0.757610795942604 0.757630960774445 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201122 logg= -0.006967 ETOT= -18.125925 -18.137666 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200891 logg= -0.007005 ETOT= -18.134273 -18.146331 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100398 logg= -0.003369 ETOT= -9.072468 -9.079476 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 7.100365 logg= -0.003291 ETOT= -9.069598 -9.075813 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200808 logg= -0.006636 ETOT= -18.133069 -18.143890 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100529 logg= -0.003480 ETOT= -9.075169 -9.082950 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201021 logg= -0.006977 ETOT= -18.129085 -18.140935 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200895 logg= -0.006612 ETOT= -18.130309 -18.140957 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200883 logg= -0.007025 ETOT= -18.145694 -18.160004 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201299 logg= -0.007361 ETOT= -18.128404 -18.141221 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200731 logg= -0.006702 ETOT= -18.138007 -18.150006 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201000 logg= -0.006982 ETOT= -18.149187 -18.164438 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100530 logg= -0.003480 ETOT= -9.075168 -9.082949 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.200999 logg= -0.006982 ETOT= -18.149189 -18.164439 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201629 logg= -0.007386 ETOT= -18.119046 -18.132547 Density= 14.200781 logg= -0.006820 ETOT= -18.143809 -18.157504 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 3.550352 logg= -0.001816 ETOT= -4.539006 -4.543297 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201839 logg= -0.007658 ETOT= -18.121402 -18.135141 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.202285 logg= -0.007827 ETOT= -18.115103 -18.130333 Density= 14.203093 logg= -0.008208 ETOT= -18.108688 -18.125862 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200812 logg= -0.006637 ETOT= -18.133069 -18.143889 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201630 logg= -0.007386 ETOT= -18.119046 -18.132547 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200898 logg= -0.006612 ETOT= -18.130312 -18.140957 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201527 logg= -0.007391 ETOT= -18.122549 -18.135644 Density= 14.201123 logg= -0.006967 ETOT= -18.125926 -18.137665 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202285 logg= -0.007827 ETOT= -18.115104 -18.130333 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201023 logg= -0.006977 ETOT= -18.129084 -18.140934 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202508 logg= -0.007888 ETOT= -18.111327 -18.127365 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202508 logg= -0.007888 ETOT= -18.111327 -18.127365 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100420 logg= -0.003224 ETOT= -9.065794 -9.070875 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200823 logg= -0.007031 ETOT= -18.140383 -18.153181 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.204373 logg= -0.008784 ETOT= -18.101629 -18.121058 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 7.100419 logg= -0.003223 ETOT= -9.065791 -9.070875 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200784 logg= -0.006819 ETOT= -18.143806 -18.157502 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100392 logg= -0.003245 ETOT= -9.067190 -9.072702 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203610 logg= -0.008430 ETOT= -18.105069 -18.123310 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100390 logg= -0.003244 ETOT= -9.067189 -9.072703 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203610 logg= -0.008430 ETOT= -18.105069 -18.123310 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.200889 logg= -0.007005 ETOT= -18.134274 -18.146332 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100400 logg= -0.003369 ETOT= -9.072467 -9.079474 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201244 logg= -0.007122 ETOT= -18.152940 -18.169286 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100669 logg= -0.003587 ETOT= -9.077172 -9.085540 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201014 logg= -0.007237 ETOT= -18.134875 -18.147575 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200735 logg= -0.006702 ETOT= -18.138005 -18.150004 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100668 logg= -0.003587 ETOT= -9.077173 -9.085541 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200825 logg= -0.007031 ETOT= -18.140382 -18.153180 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201526 logg= -0.007391 ETOT= -18.122549 -18.135645 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201299 logg= -0.007361 ETOT= -18.128405 -18.141222 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100362 logg= -0.003291 ETOT= -9.069599 -9.075814 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Sum of eigenvalues= -10422.0974711005 eV TrLogG= -10429.9545176352 eV Ratio to renormalize= 0.999982970497 rho-rho_expected= 0.010217875871 nargs= 1 argi=dmft2.def 36) Finished k-point number 37 1 with #bands= 470 45) Finished k-point number 46 1 with #bands= 472 3) Finished k-point number 4 1 with #bands= 466 15) Finished k-point number 16 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 43) Finished k-point number 44 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 14) Finished k-point number 15 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 6) Finished k-point number 7 1 with #bands= 472 9) Finished k-point number 10 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 38) Finished k-point number 39 1 with #bands= 470 5) Finished k-point number 6 1 with #bands= 472 12) Finished k-point number 13 1 with #bands= 470 37) Finished k-point number 38 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 48) Finished k-point number 49 1 with #bands= 480 19) Finished k-point number 20 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 34) Finished k-point number 35 1 with #bands= 476 33) Finished k-point number 34 1 with #bands= 476 1) Finished k-point number 2 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 40) Finished k-point number 41 1 with #bands= 480 8) Finished k-point number 9 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 18) Finished k-point number 19 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 23) Finished k-point number 24 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 31) Finished k-point number 32 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 25) Finished k-point number 26 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747891427063787 0.747904132209616 0.757684156449605 0.757665590968531 0.757607602411057 0.757632111791505 0.747891420625353 0.747904124063543 0.757684162641087 0.757665587589626 0.757607565843997 0.757632148392600 0.747898137080848 0.747896767244347 0.757647727898679 0.757704702843880 0.757627964566714 0.757611283442378 0.747898143274266 0.747896786134064 0.757647702489028 0.757704704940048 0.757627975541294 0.757611272135851 0.747905464660414 0.747891323320452 0.757664753989127 0.757683081321723 0.757633016211358 0.757608155626387 0.747905475731842 0.747891324739085 0.757664758300241 0.757683073923422 0.757633029805338 0.757608142223630 0.747895590154940 0.747896600921295 0.757707113952731 0.757650229076291 0.757612400199109 0.757628984578312 0.747895591779046 0.747896602110965 0.757707113552498 0.757650227686691 0.757612398971708 0.757628985193098 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 7.100464 logg= -0.003407 ETOT= -9.072426 -9.079461 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=690 Density= 14.201984 logg= -0.007727 ETOT= -18.121305 -18.135097 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201438 logg= -0.007432 ETOT= -18.128311 -18.141183 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100599 logg= -0.003518 ETOT= -9.075125 -9.082934 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201022 logg= -0.007078 ETOT= -18.134185 -18.146299 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200934 logg= -0.006709 ETOT= -18.132982 -18.143861 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201263 logg= -0.007039 ETOT= -18.125830 -18.137627 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100466 logg= -0.003407 ETOT= -9.072424 -9.079460 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201020 logg= -0.006685 ETOT= -18.130222 -18.140928 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201437 logg= -0.007432 ETOT= -18.128312 -18.141183 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201135 logg= -0.007059 ETOT= -18.149103 -18.164407 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201014 logg= -0.007100 ETOT= -18.145609 -18.159974 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200911 logg= -0.006895 ETOT= -18.143724 -18.157474 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200858 logg= -0.006777 ETOT= -18.137922 -18.149977 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201159 logg= -0.007049 ETOT= -18.128992 -18.140898 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201136 logg= -0.007059 ETOT= -18.149101 -18.164406 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201674 logg= -0.007462 ETOT= -18.122451 -18.135601 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100600 logg= -0.003518 ETOT= -9.075124 -9.082933 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.202435 logg= -0.007895 ETOT= -18.115004 -18.130285 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202661 logg= -0.007956 ETOT= -18.111226 -18.127315 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550406 logg= -0.001835 ETOT= -4.538974 -4.543279 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201160 logg= -0.007049 ETOT= -18.128991 -18.140897 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201782 logg= -0.007457 ETOT= -18.118945 -18.132500 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.204517 logg= -0.008847 ETOT= -18.101534 -18.121009 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 7.100478 logg= -0.003260 ETOT= -9.065749 -9.070862 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202435 logg= -0.007896 ETOT= -18.115004 -18.130285 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200938 logg= -0.006710 ETOT= -18.132982 -18.143859 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201146 logg= -0.007310 ETOT= -18.134786 -18.147542 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201673 logg= -0.007462 ETOT= -18.122451 -18.135601 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202661 logg= -0.007956 ETOT= -18.111227 -18.127315 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201264 logg= -0.007039 ETOT= -18.125830 -18.137626 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203759 logg= -0.008495 ETOT= -18.104971 -18.123260 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.203759 logg= -0.008495 ETOT= -18.104971 -18.123260 Density= 14.203242 logg= -0.008274 ETOT= -18.108589 -18.125813 Density= 7.100450 logg= -0.003281 ETOT= -9.067147 -9.072690 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201024 logg= -0.007078 ETOT= -18.134184 -18.146298 Density= 14.201023 logg= -0.006685 ETOT= -18.130225 -18.140927 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201398 logg= -0.007199 ETOT= -18.152846 -18.169244 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.200863 logg= -0.006777 ETOT= -18.137919 -18.149974 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201781 logg= -0.007457 ETOT= -18.118945 -18.132500 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100480 logg= -0.003261 ETOT= -9.065752 -9.070862 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100453 logg= -0.003282 ETOT= -9.067148 -9.072689 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100755 logg= -0.003625 ETOT= -9.077120 -9.085515 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200953 logg= -0.007105 ETOT= -18.140297 -18.153150 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100428 logg= -0.003329 ETOT= -9.069555 -9.075799 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200914 logg= -0.006895 ETOT= -18.143721 -18.157472 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100755 logg= -0.003625 ETOT= -9.077120 -9.085515 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200954 logg= -0.007105 ETOT= -18.140296 -18.153149 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100425 logg= -0.003329 ETOT= -9.069557 -9.075800 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Sum of eigenvalues= -10422.0445976893 eV TrLogG= -10429.9328416252 eV Ratio to renormalize= 0.999973196332 rho-rho_expected= 0.016082631930 nargs= 1 argi=dmft2.def 37) Finished k-point number 38 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 24) Finished k-point number 25 1 with #bands= 470 27) Finished k-point number 28 1 with #bands= 472 36) Finished k-point number 37 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 12) Finished k-point number 13 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 39) Finished k-point number 40 1 with #bands= 476 0) Finished k-point number 1 1 with #bands= 468 34) Finished k-point number 35 1 with #bands= 476 2) Finished k-point number 3 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 6) Finished k-point number 7 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 38) Finished k-point number 39 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 14) Finished k-point number 15 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 15) Finished k-point number 16 1 with #bands= 468 1) Finished k-point number 2 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 32) Finished k-point number 33 1 with #bands= 476 4) Finished k-point number 5 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 9) Finished k-point number 10 1 with #bands= 468 29) Finished k-point number 30 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 18) Finished k-point number 19 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 28) Finished k-point number 29 1 with #bands= 468 21) Finished k-point number 22 1 with #bands= 466 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890502229896 0.747902439428895 0.757684994530501 0.757667224831559 0.757607394535693 0.757631977519754 0.747890485948099 0.747902426967040 0.757685001448850 0.757667234646388 0.757607384942579 0.757631987179491 0.747899212938917 0.747896475605640 0.757645208790146 0.757706590160502 0.757628299896777 0.757610623099132 0.747899209112092 0.747896482352029 0.757645201703607 0.757706596430035 0.757628306672998 0.757610615913701 0.747904081429191 0.747890951648183 0.757665826163585 0.757682592370660 0.757632868901441 0.757607969407592 0.747904078910548 0.747890924449864 0.757665847438984 0.757682610490489 0.757632874874444 0.757607963644391 0.747895246480431 0.747896461618230 0.757708028439509 0.757649269363282 0.757610977265700 0.757630184583014 0.747895266088867 0.747896482926351 0.757708013209454 0.757649244976079 0.757610982130135 0.757630179101052 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201131 logg= -0.006586 ETOT= -18.140240 -18.152523 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201426 logg= -0.006517 ETOT= -18.125779 -18.137005 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201327 logg= -0.006527 ETOT= -18.128939 -18.140274 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100519 logg= -0.003069 ETOT= -9.069525 -9.075483 Density= 14.201043 logg= -0.006256 ETOT= -18.137860 -18.149345 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201931 logg= -0.006935 ETOT= -18.118904 -18.131887 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201196 logg= -0.006558 ETOT= -18.134129 -18.145672 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201090 logg= -0.006376 ETOT= -18.143666 -18.156846 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201113 logg= -0.006188 ETOT= -18.132923 -18.143231 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201198 logg= -0.006163 ETOT= -18.130164 -18.140298 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201308 logg= -0.006541 ETOT= -18.149049 -18.163784 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201309 logg= -0.006540 ETOT= -18.149047 -18.163783 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201039 logg= -0.006256 ETOT= -18.137862 -18.149347 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201191 logg= -0.006581 ETOT= -18.145553 -18.159348 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201132 logg= -0.006585 ETOT= -18.140239 -18.152522 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100686 logg= -0.003259 ETOT= -9.075098 -9.082622 Density= 14.201601 logg= -0.006912 ETOT= -18.128263 -18.140563 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.201200 logg= -0.006163 ETOT= -18.130167 -18.140298 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100516 logg= -0.003069 ETOT= -9.069527 -9.075485 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201117 logg= -0.006188 ETOT= -18.132923 -18.143229 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201198 logg= -0.006558 ETOT= -18.134128 -18.145671 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202575 logg= -0.007376 ETOT= -18.114971 -18.129679 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100570 logg= -0.002999 ETOT= -9.065719 -9.070546 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201828 logg= -0.006941 ETOT= -18.122407 -18.134985 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204623 logg= -0.008333 ETOT= -18.101525 -18.120426 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.203877 logg= -0.007979 ETOT= -18.104954 -18.122669 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.201427 logg= -0.006517 ETOT= -18.125779 -18.137004 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202575 logg= -0.007376 ETOT= -18.114971 -18.129679 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201329 logg= -0.006528 ETOT= -18.128938 -18.140273 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202796 logg= -0.007437 ETOT= -18.111196 -18.126712 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203368 logg= -0.007757 ETOT= -18.108566 -18.125216 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201931 logg= -0.006935 ETOT= -18.118904 -18.131886 Density= 3.550443 logg= -0.001706 ETOT= -4.538964 -4.543127 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.202796 logg= -0.007437 ETOT= -18.111196 -18.126711 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100542 logg= -0.003021 ETOT= -9.067117 -9.072374 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203877 logg= -0.007979 ETOT= -18.104954 -18.122669 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100572 logg= -0.003000 ETOT= -9.065722 -9.070546 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100544 logg= -0.003021 ETOT= -9.067118 -9.072373 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201319 logg= -0.006790 ETOT= -18.134732 -18.146917 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201828 logg= -0.006941 ETOT= -18.122408 -18.134986 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100834 logg= -0.003367 ETOT= -9.077098 -9.085208 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201601 logg= -0.006912 ETOT= -18.128264 -18.140563 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201093 logg= -0.006375 ETOT= -18.143663 -18.156844 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201562 logg= -0.006681 ETOT= -18.152798 -18.168627 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100684 logg= -0.003259 ETOT= -9.075099 -9.082622 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 7.100555 logg= -0.003147 ETOT= -9.072395 -9.079146 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.202133 logg= -0.007208 ETOT= -18.121266 -18.134485 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 7.100834 logg= -0.003367 ETOT= -9.077098 -9.085208 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100553 logg= -0.003147 ETOT= -9.072397 -9.079147 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Sum of eigenvalues= -10422.0171798171 eV TrLogG= -10429.5771000335 eV Ratio to renormalize= 0.999961770929 rho-rho_expected= 0.022938319424 nargs= 1 argi=dmft2.def 39) Finished k-point number 40 1 with #bands= 476 36) Finished k-point number 37 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 29) Finished k-point number 30 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 43) Finished k-point number 44 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 48) Finished k-point number 49 1 with #bands= 480 40) Finished k-point number 41 1 with #bands= 480 5) Finished k-point number 6 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 37) Finished k-point number 38 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 1) Finished k-point number 2 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 7) Finished k-point number 8 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 30) Finished k-point number 31 1 with #bands= 470 35) Finished k-point number 36 1 with #bands= 472 34) Finished k-point number 35 1 with #bands= 476 6) Finished k-point number 7 1 with #bands= 472 9) Finished k-point number 10 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 10) Finished k-point number 11 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 20) Finished k-point number 21 1 with #bands= 472 0) Finished k-point number 1 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 27) Finished k-point number 28 1 with #bands= 472 15) Finished k-point number 16 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 2) Finished k-point number 3 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 45) Finished k-point number 46 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890732076368 0.747900389939015 0.757684871170706 0.757667357311620 0.757608912551981 0.757629099885068 0.747890719758581 0.747900407008293 0.757684861759799 0.757667353315471 0.757608913934188 0.757629098577106 0.747897615341530 0.747894612881913 0.757647595698027 0.757706347434469 0.757629218528154 0.757608391398931 0.747897615936569 0.747894606686183 0.757647592291913 0.757706355354357 0.757629226830970 0.757608382723673 0.747901896313274 0.747888572384868 0.757667350145420 0.757683383434651 0.757630114303174 0.757609453088556 0.747901914048097 0.747888561058319 0.757667360362203 0.757683377251374 0.757630115189088 0.757609452426865 0.747895387544572 0.747897844605812 0.757704966071181 0.757649301484325 0.757609707662355 0.757630427361526 0.747895387964794 0.747897852860395 0.757704964505780 0.757649295502019 0.757609711312932 0.757630423195437 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201121 logg= -0.007755 ETOT= -18.128382 -18.141627 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.201120 logg= -0.007755 ETOT= -18.128382 -18.141627 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.200820 logg= -0.007632 ETOT= -18.134863 -18.147990 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100264 logg= -0.003490 ETOT= -9.069595 -9.076024 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200608 logg= -0.007030 ETOT= -18.133061 -18.144308 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200621 logg= -0.007428 ETOT= -18.140378 -18.153603 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200584 logg= -0.007217 ETOT= -18.143801 -18.157923 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200697 logg= -0.007006 ETOT= -18.130299 -18.141373 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200528 logg= -0.007098 ETOT= -18.138002 -18.150427 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 3.550329 logg= -0.001916 ETOT= -4.538991 -4.543389 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.200695 logg= -0.007400 ETOT= -18.134262 -18.146747 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200533 logg= -0.007098 ETOT= -18.137999 -18.150425 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200581 logg= -0.007217 ETOT= -18.143805 -18.157925 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200682 logg= -0.007423 ETOT= -18.145691 -18.160427 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200811 logg= -0.007381 ETOT= -18.149178 -18.164855 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100440 logg= -0.003679 ETOT= -9.075161 -9.083156 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201362 logg= -0.007784 ETOT= -18.122518 -18.136042 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200809 logg= -0.007381 ETOT= -18.149180 -18.164857 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200612 logg= -0.007031 ETOT= -18.133060 -18.144307 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200946 logg= -0.007360 ETOT= -18.125902 -18.138069 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202137 logg= -0.008220 ETOT= -18.115062 -18.130722 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201472 logg= -0.007779 ETOT= -18.119010 -18.132940 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200840 logg= -0.007371 ETOT= -18.129065 -18.141342 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202137 logg= -0.008220 ETOT= -18.115062 -18.130722 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204266 logg= -0.009178 ETOT= -18.101565 -18.121427 Density= 7.100316 logg= -0.003421 ETOT= -9.065789 -9.071086 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200700 logg= -0.007007 ETOT= -18.130302 -18.141373 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202368 logg= -0.008280 ETOT= -18.111281 -18.127749 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202368 logg= -0.008280 ETOT= -18.111281 -18.127749 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202961 logg= -0.008601 ETOT= -18.108637 -18.126242 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201472 logg= -0.007778 ETOT= -18.119010 -18.132940 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.203490 logg= -0.008823 ETOT= -18.105012 -18.123684 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.203490 logg= -0.008823 ETOT= -18.105012 -18.123684 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100289 logg= -0.003442 ETOT= -9.067188 -9.072913 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100287 logg= -0.003442 ETOT= -9.067187 -9.072914 Density= 7.100317 logg= -0.003421 ETOT= -9.065792 -9.071085 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200945 logg= -0.007360 ETOT= -18.125901 -18.138070 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201081 logg= -0.007522 ETOT= -18.152918 -18.169689 Density= 14.201677 logg= -0.008051 ETOT= -18.121369 -18.135537 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 7.100599 logg= -0.003787 ETOT= -9.077155 -9.085737 Density= 14.200697 logg= -0.007400 ETOT= -18.134261 -18.146746 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100438 logg= -0.003679 ETOT= -9.075163 -9.083157 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200622 logg= -0.007427 ETOT= -18.140377 -18.153602 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100300 logg= -0.003568 ETOT= -9.072465 -9.079686 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201361 logg= -0.007784 ETOT= -18.122518 -18.136043 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200838 logg= -0.007371 ETOT= -18.129065 -18.141343 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100599 logg= -0.003787 ETOT= -9.077155 -9.085737 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100261 logg= -0.003490 ETOT= -9.069597 -9.076025 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100302 logg= -0.003568 ETOT= -9.072464 -9.079684 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Sum of eigenvalues= -10422.0847797023 eV TrLogG= -10430.1877462946 eV Ratio to renormalize= 0.999995345341 rho-rho_expected= 0.002792808410 nargs= 1 argi=dmft2.def 18) Finished k-point number 19 1 with #bands= 470 1) Finished k-point number 2 1 with #bands= 470 37) Finished k-point number 38 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 13) Finished k-point number 14 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 5) Finished k-point number 6 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 35) Finished k-point number 36 1 with #bands= 472 8) Finished k-point number 9 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 38) Finished k-point number 39 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 4) Finished k-point number 5 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 3) Finished k-point number 4 1 with #bands= 466 14) Finished k-point number 15 1 with #bands= 468 33) Finished k-point number 34 1 with #bands= 476 36) Finished k-point number 37 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 34) Finished k-point number 35 1 with #bands= 476 15) Finished k-point number 16 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 6) Finished k-point number 7 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 20) Finished k-point number 21 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 23) Finished k-point number 24 1 with #bands= 470 24) Finished k-point number 25 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 39) Finished k-point number 40 1 with #bands= 476 26) Finished k-point number 27 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 0) Finished k-point number 1 1 with #bands= 468 40) Finished k-point number 41 1 with #bands= 480 28) Finished k-point number 29 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 44) Finished k-point number 45 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 16) Finished k-point number 17 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747891346928336 0.747900520919902 0.757685681562914 0.757666376211483 0.757607875751873 0.757630771852378 0.747891326498719 0.747900534530322 0.757685669123418 0.757666383519302 0.757607870795976 0.757630776855774 0.747898194187704 0.747895457276816 0.757647998433602 0.757704633821130 0.757626176412367 0.757612035359648 0.747898197429244 0.747895435290298 0.757648006018870 0.757704642998220 0.757626178155669 0.757612033289736 0.747902356887775 0.747890264180928 0.757665276696116 0.757683690692460 0.757632042814302 0.757608176484696 0.747902366467157 0.747890266761785 0.757665286076667 0.757683680485489 0.757632033626304 0.757608185886771 0.747896505775750 0.747897270797040 0.757704752813365 0.757648256380694 0.757613388696672 0.757627235750658 0.747896512459780 0.747897269297953 0.757704757468099 0.757648247790874 0.757613387990670 0.757627235859373 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201152 logg= -0.006775 ETOT= -18.134109 -18.145888 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201272 logg= -0.007008 ETOT= -18.134714 -18.147135 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201780 logg= -0.007159 ETOT= -18.122389 -18.135205 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201086 logg= -0.006803 ETOT= -18.140220 -18.152739 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201069 logg= -0.006404 ETOT= -18.132904 -18.143446 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201141 logg= -0.006799 ETOT= -18.145537 -18.159568 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100525 logg= -0.003255 ETOT= -9.072390 -9.079258 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201155 logg= -0.006380 ETOT= -18.130143 -18.140513 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201282 logg= -0.006745 ETOT= -18.128920 -18.140491 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200992 logg= -0.006473 ETOT= -18.137844 -18.149564 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100494 logg= -0.003177 ETOT= -9.069517 -9.075593 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201041 logg= -0.006592 ETOT= -18.143647 -18.157064 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201251 logg= -0.006758 ETOT= -18.149036 -18.164007 Density= 14.201253 logg= -0.006758 ETOT= -18.149034 -18.164006 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201038 logg= -0.006592 ETOT= -18.143650 -18.157066 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100655 logg= -0.003368 ETOT= -9.075092 -9.082734 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 3.550438 logg= -0.001760 ETOT= -4.538956 -4.543177 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201283 logg= -0.006745 ETOT= -18.128919 -18.140490 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202524 logg= -0.007596 ETOT= -18.114953 -18.129901 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201781 logg= -0.007159 ETOT= -18.122388 -18.135204 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201553 logg= -0.007131 ETOT= -18.128245 -18.140782 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201383 logg= -0.006734 ETOT= -18.125759 -18.137220 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201886 logg= -0.007154 ETOT= -18.118883 -18.132104 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201073 logg= -0.006405 ETOT= -18.132903 -18.143445 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.203314 logg= -0.007978 ETOT= -18.108550 -18.125442 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.202524 logg= -0.007596 ETOT= -18.114953 -18.129901 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100549 logg= -0.003108 ETOT= -9.065708 -9.070653 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203819 logg= -0.008201 ETOT= -18.104939 -18.122897 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.201158 logg= -0.006380 ETOT= -18.130146 -18.140512 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202745 logg= -0.007656 ETOT= -18.111178 -18.126933 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204561 logg= -0.008556 ETOT= -18.101513 -18.120658 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.202746 logg= -0.007656 ETOT= -18.111178 -18.126933 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203819 logg= -0.008201 ETOT= -18.104939 -18.122896 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100522 logg= -0.003129 ETOT= -9.067108 -9.072481 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100551 logg= -0.003108 ETOT= -9.065711 -9.070653 Density= 7.100491 logg= -0.003177 ETOT= -9.069518 -9.075594 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201382 logg= -0.006734 ETOT= -18.125759 -18.137221 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201552 logg= -0.007131 ETOT= -18.128246 -18.140783 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100520 logg= -0.003129 ETOT= -9.067107 -9.072482 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201508 logg= -0.006899 ETOT= -18.152783 -18.168849 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100654 logg= -0.003368 ETOT= -9.075094 -9.082735 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100811 logg= -0.003476 ETOT= -9.077088 -9.085317 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100811 logg= -0.003476 ETOT= -9.077088 -9.085317 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201885 logg= -0.007153 ETOT= -18.118884 -18.132104 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.202083 logg= -0.007427 ETOT= -18.121248 -18.134706 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201150 logg= -0.006775 ETOT= -18.134111 -18.145889 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201085 logg= -0.006803 ETOT= -18.140221 -18.152740 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200996 logg= -0.006473 ETOT= -18.137841 -18.149562 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100527 logg= -0.003255 ETOT= -9.072389 -9.079257 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Sum of eigenvalues= -10422.0070171616 eV TrLogG= -10429.7032121302 eV Ratio to renormalize= 0.999965220344 rho-rho_expected= 0.020868519366 nargs= 1 argi=dmft2.def 37) Finished k-point number 38 1 with #bands= 470 5) Finished k-point number 6 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 0) Finished k-point number 1 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 45) Finished k-point number 46 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 27) Finished k-point number 28 1 with #bands= 472 18) Finished k-point number 19 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 36) Finished k-point number 37 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 7) Finished k-point number 8 1 with #bands= 470 43) Finished k-point number 44 1 with #bands= 472 10) Finished k-point number 11 1 with #bands= 468 14) Finished k-point number 15 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 33) Finished k-point number 34 1 with #bands= 476 11) Finished k-point number 12 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 34) Finished k-point number 35 1 with #bands= 476 15) Finished k-point number 16 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 42) Finished k-point number 43 1 with #bands= 472 6) Finished k-point number 7 1 with #bands= 472 1) Finished k-point number 2 1 with #bands= 470 32) Finished k-point number 33 1 with #bands= 476 8) Finished k-point number 9 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 31) Finished k-point number 32 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 39) Finished k-point number 40 1 with #bands= 476 19) Finished k-point number 20 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 20) Finished k-point number 21 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 17) Finished k-point number 18 1 with #bands= 470 28) Finished k-point number 29 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 24) Finished k-point number 25 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890075836073 0.747900825484935 0.757687199370770 0.757666383977632 0.757607724937809 0.757631106780764 0.747890057443842 0.747900819120146 0.757687157731685 0.757666418365338 0.757607720015530 0.757631111742505 0.747896462974897 0.747895698638576 0.757648409379827 0.757706380182207 0.757627712338065 0.757610690599022 0.747896466915348 0.747895624496384 0.757648427595404 0.757706420376164 0.757627699698811 0.757610702886848 0.747901932641460 0.747889148345901 0.757666752168166 0.757684522773465 0.757631398588053 0.757608985342458 0.747901942810663 0.747889137922888 0.757666752524081 0.757684522442759 0.757631407721706 0.757608976410342 0.747894136052972 0.747896741039690 0.757706344248868 0.757650458038734 0.757611726569097 0.757629074318223 0.747894142350520 0.747896700452540 0.757706342625078 0.757650473658841 0.757611731756683 0.757629068573793 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201149 logg= -0.007012 ETOT= -18.134768 -18.147212 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201424 logg= -0.007137 ETOT= -18.128306 -18.140865 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200911 logg= -0.006472 ETOT= -18.137866 -18.149614 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100492 logg= -0.003254 ETOT= -9.072395 -9.079278 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201072 logg= -0.006380 ETOT= -18.130169 -18.140565 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100620 logg= -0.003366 ETOT= -9.075099 -9.082755 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=692 Density= 14.201041 logg= -0.006778 ETOT= -18.134155 -18.145958 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201752 logg= -0.007164 ETOT= -18.118950 -18.132194 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200907 logg= -0.006472 ETOT= -18.137869 -18.149616 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200953 logg= -0.006590 ETOT= -18.143674 -18.157117 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200985 logg= -0.006404 ETOT= -18.132929 -18.143499 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100490 logg= -0.003254 ETOT= -9.072397 -9.079279 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201169 logg= -0.006755 ETOT= -18.149056 -18.164055 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200956 logg= -0.006590 ETOT= -18.143671 -18.157115 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201175 logg= -0.006750 ETOT= -18.128965 -18.140560 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201171 logg= -0.006755 ETOT= -18.149054 -18.164054 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 3.550403 logg= -0.001759 ETOT= -4.538970 -4.543197 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 7.100459 logg= -0.003175 ETOT= -9.069523 -9.075614 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201039 logg= -0.006797 ETOT= -18.145571 -18.159628 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201752 logg= -0.007164 ETOT= -18.118950 -18.132194 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200989 logg= -0.006405 ETOT= -18.132929 -18.143497 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201276 logg= -0.006740 ETOT= -18.125806 -18.137291 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201176 logg= -0.006750 ETOT= -18.128965 -18.140559 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202587 logg= -0.007669 ETOT= -18.111260 -18.127039 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203143 logg= -0.007991 ETOT= -18.108639 -18.125554 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100513 logg= -0.003107 ETOT= -9.065716 -9.070675 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.204371 logg= -0.008569 ETOT= -18.101614 -18.120780 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.201650 logg= -0.007168 ETOT= -18.122453 -18.135291 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202371 logg= -0.007608 ETOT= -18.115032 -18.130003 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203640 logg= -0.008214 ETOT= -18.105034 -18.123013 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202371 logg= -0.007608 ETOT= -18.115033 -18.130003 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203641 logg= -0.008214 ETOT= -18.105033 -18.123013 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201075 logg= -0.006381 ETOT= -18.130172 -18.140565 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202587 logg= -0.007669 ETOT= -18.111261 -18.127039 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100487 logg= -0.003128 ETOT= -9.067115 -9.072503 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100515 logg= -0.003107 ETOT= -9.065719 -9.070675 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100484 logg= -0.003128 ETOT= -9.067114 -9.072504 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201940 logg= -0.007436 ETOT= -18.121320 -18.134800 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200974 logg= -0.006803 ETOT= -18.140264 -18.152808 Density= 14.201425 logg= -0.007137 ETOT= -18.128305 -18.140865 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201424 logg= -0.006895 ETOT= -18.152804 -18.168898 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=696 Density= 14.200975 logg= -0.006803 ETOT= -18.140262 -18.152807 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201649 logg= -0.007168 ETOT= -18.122453 -18.135291 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100763 logg= -0.003474 ETOT= -9.077102 -9.085345 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201043 logg= -0.006778 ETOT= -18.134153 -18.145957 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100456 logg= -0.003175 ETOT= -9.069525 -9.075615 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201275 logg= -0.006740 ETOT= -18.125806 -18.137291 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100619 logg= -0.003366 ETOT= -9.075100 -9.082756 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=692 Density= 7.100763 logg= -0.003474 ETOT= -9.077102 -9.085345 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10422.0338385297 eV TrLogG= -10429.7445121044 eV Ratio to renormalize= 0.999973160736 rho-rho_expected= 0.016103990886 nargs= 1 argi=dmft2.def 39) Finished k-point number 40 1 with #bands= 476 15) Finished k-point number 16 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 12) Finished k-point number 13 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 29) Finished k-point number 30 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 14) Finished k-point number 15 1 with #bands= 468 38) Finished k-point number 39 1 with #bands= 470 6) Finished k-point number 7 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 5) Finished k-point number 6 1 with #bands= 472 23) Finished k-point number 24 1 with #bands= 470 37) Finished k-point number 38 1 with #bands= 470 36) Finished k-point number 37 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 48) Finished k-point number 49 1 with #bands= 480 43) Finished k-point number 44 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 34) Finished k-point number 35 1 with #bands= 476 1) Finished k-point number 2 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 10) Finished k-point number 11 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 21) Finished k-point number 22 1 with #bands= 466 44) Finished k-point number 45 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 41) Finished k-point number 42 1 with #bands= 480 7) Finished k-point number 8 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 31) Finished k-point number 32 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 0) Finished k-point number 1 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 18) Finished k-point number 19 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 27) Finished k-point number 28 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890867863712 0.747902498117349 0.757683802597708 0.757668517400943 0.757608958236253 0.757630434014775 0.747890846143222 0.747902483951974 0.757683805238127 0.757668539378337 0.757608950660397 0.757630441610458 0.747896951534612 0.747895189652365 0.757648622040730 0.757707178651705 0.757629432978770 0.757609526800435 0.747896962108999 0.747895201771146 0.757648617522507 0.757707160997206 0.757629435751298 0.757609523645073 0.747903290502390 0.747889409997078 0.757668279970696 0.757682257121278 0.757631192300014 0.757609722767932 0.747903301301872 0.747889400025227 0.757668289607901 0.757682255711721 0.757631198652038 0.757609716592495 0.747895242121682 0.747896904446068 0.757707853111384 0.757648171199494 0.757610185834319 0.757631101986767 0.747895246906528 0.747896912540645 0.757707851750932 0.757648162185820 0.757610186014567 0.757631101237511 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201015 logg= -0.007162 ETOT= -18.134194 -18.146372 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201257 logg= -0.007122 ETOT= -18.125838 -18.137700 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200901 logg= -0.006977 ETOT= -18.143730 -18.157547 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100421 logg= -0.003369 ETOT= -9.069559 -9.075836 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201774 logg= -0.007543 ETOT= -18.118956 -18.132577 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201018 logg= -0.006765 ETOT= -18.130225 -18.140996 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200929 logg= -0.006790 ETOT= -18.132987 -18.143930 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201115 logg= -0.007142 ETOT= -18.149116 -18.164488 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200945 logg= -0.007189 ETOT= -18.140306 -18.153224 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201136 logg= -0.007395 ETOT= -18.134800 -18.147619 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.200898 logg= -0.006977 ETOT= -18.143734 -18.157550 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201013 logg= -0.007162 ETOT= -18.134196 -18.146373 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201151 logg= -0.007132 ETOT= -18.129001 -18.140972 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201664 logg= -0.007548 ETOT= -18.122464 -18.135679 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201116 logg= -0.007141 ETOT= -18.149114 -18.164486 Density= 3.550394 logg= -0.001856 ETOT= -4.538982 -4.543303 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 7.100588 logg= -0.003559 ETOT= -9.075132 -9.082974 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200850 logg= -0.006858 ETOT= -18.137928 -18.150049 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201665 logg= -0.007548 ETOT= -18.122463 -18.135679 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201001 logg= -0.007183 ETOT= -18.145620 -18.160051 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201774 logg= -0.007543 ETOT= -18.118955 -18.132577 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.204502 logg= -0.008944 ETOT= -18.101551 -18.121100 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 14.201427 logg= -0.007519 ETOT= -18.128326 -18.141262 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.201153 logg= -0.007132 ETOT= -18.129001 -18.140971 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200934 logg= -0.006791 ETOT= -18.132986 -18.143929 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202653 logg= -0.008045 ETOT= -18.111238 -18.127396 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203232 logg= -0.008367 ETOT= -18.108603 -18.125898 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100478 logg= -0.003300 ETOT= -9.065749 -9.070895 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203747 logg= -0.008589 ETOT= -18.104985 -18.123347 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.203747 logg= -0.008589 ETOT= -18.104985 -18.123347 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.202652 logg= -0.008045 ETOT= -18.111238 -18.127396 Density= 7.100449 logg= -0.003321 ETOT= -9.067148 -9.072724 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201258 logg= -0.007122 ETOT= -18.125839 -18.137699 Density= 14.201021 logg= -0.006766 ETOT= -18.130228 -18.140995 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202425 logg= -0.007985 ETOT= -18.115017 -18.130367 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202426 logg= -0.007985 ETOT= -18.115017 -18.130367 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201972 logg= -0.007816 ETOT= -18.121320 -18.135178 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.200854 logg= -0.006858 ETOT= -18.137926 -18.150046 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100451 logg= -0.003321 ETOT= -9.067149 -9.072723 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200943 logg= -0.007189 ETOT= -18.140308 -18.153225 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100480 logg= -0.003300 ETOT= -9.065752 -9.070895 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100423 logg= -0.003369 ETOT= -9.069558 -9.075834 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201368 logg= -0.007282 ETOT= -18.152865 -18.169331 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=692 Density= 7.100736 logg= -0.003667 ETOT= -9.077132 -9.085561 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100458 logg= -0.003447 ETOT= -9.072429 -9.079498 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100587 logg= -0.003559 ETOT= -9.075133 -9.082975 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100736 logg= -0.003667 ETOT= -9.077132 -9.085561 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100455 logg= -0.003447 ETOT= -9.072431 -9.079499 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201427 logg= -0.007519 ETOT= -18.128325 -18.141262 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Sum of eigenvalues= -10422.0507545827 eV TrLogG= -10429.9772918413 eV Ratio to renormalize= 0.999973969229 rho-rho_expected= 0.015618869443 nargs= 1 argi=dmft2.def 22) Finished k-point number 23 1 with #bands= 468 15) Finished k-point number 16 1 with #bands= 468 14) Finished k-point number 15 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 0) Finished k-point number 1 1 with #bands= 468 13) Finished k-point number 14 1 with #bands= 472 1) Finished k-point number 2 1 with #bands= 470 27) Finished k-point number 28 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 33) Finished k-point number 34 1 with #bands= 476 21) Finished k-point number 22 1 with #bands= 466 3) Finished k-point number 4 1 with #bands= 466 16) Finished k-point number 17 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 43) Finished k-point number 44 1 with #bands= 472 34) Finished k-point number 35 1 with #bands= 476 20) Finished k-point number 21 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 35) Finished k-point number 36 1 with #bands= 472 36) Finished k-point number 37 1 with #bands= 470 38) Finished k-point number 39 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 8) Finished k-point number 9 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 9) Finished k-point number 10 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 6) Finished k-point number 7 1 with #bands= 472 2) Finished k-point number 3 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 24) Finished k-point number 25 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 23) Finished k-point number 24 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 19) Finished k-point number 20 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890172827693 0.747902511950326 0.757684368772480 0.757669789642508 0.757608899827842 0.757630993193772 0.747890170728918 0.747902508252345 0.757684353667036 0.757669802474195 0.757608896287508 0.757630996766815 0.747897563733568 0.747896463426564 0.757648158441048 0.757706828563100 0.757629453777711 0.757610005632128 0.747897555057972 0.747896457818942 0.757648173317923 0.757706825006312 0.757629451070213 0.757610007969360 0.747903649960249 0.747889618423847 0.757668386884704 0.757682492138968 0.757631471357887 0.757609812252462 0.747903661698646 0.747889608340642 0.757668397464438 0.757682487510993 0.757631480074708 0.757609803725134 0.747896071300958 0.747896382885973 0.757707243744074 0.757649634942071 0.757610448203467 0.757631164196310 0.747896076328776 0.747896392276473 0.757707240305586 0.757649624456597 0.757610445580847 0.757631166247919 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200666 logg= -0.007011 ETOT= -18.140450 -18.153211 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100327 logg= -0.003358 ETOT= -9.072495 -9.079486 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201154 logg= -0.007343 ETOT= -18.128469 -18.141248 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200760 logg= -0.006585 ETOT= -18.130355 -18.140970 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100329 logg= -0.003357 ETOT= -9.072493 -9.079485 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201154 logg= -0.007343 ETOT= -18.128468 -18.141247 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201398 logg= -0.007372 ETOT= -18.122603 -18.135661 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100614 logg= -0.003579 ETOT= -9.077194 -9.085545 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200587 logg= -0.006678 ETOT= -18.138061 -18.150025 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200669 logg= -0.006610 ETOT= -18.133118 -18.143905 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200852 logg= -0.006963 ETOT= -18.149248 -18.164465 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200725 logg= -0.007005 ETOT= -18.145762 -18.160036 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.202156 logg= -0.007812 ETOT= -18.115162 -18.130353 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200632 logg= -0.006798 ETOT= -18.143868 -18.157528 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100460 logg= -0.003470 ETOT= -9.075196 -9.082961 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200996 logg= -0.006944 ETOT= -18.125973 -18.137677 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200850 logg= -0.006963 ETOT= -18.149250 -18.164466 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100458 logg= -0.003470 ETOT= -9.075198 -9.082961 Density= 14.202387 logg= -0.007873 ETOT= -18.111381 -18.127381 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200591 logg= -0.006678 ETOT= -18.138058 -18.150023 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200635 logg= -0.006797 ETOT= -18.143865 -18.157526 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100292 logg= -0.003279 ETOT= -9.069623 -9.075822 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201398 logg= -0.007372 ETOT= -18.122603 -18.135661 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200665 logg= -0.007011 ETOT= -18.140451 -18.153212 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 3.550335 logg= -0.001812 ETOT= -4.539011 -4.543294 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201700 logg= -0.007642 ETOT= -18.121464 -18.135165 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202961 logg= -0.008196 ETOT= -18.108750 -18.125887 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100320 logg= -0.003231 ETOT= -9.067211 -9.072710 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201512 logg= -0.007367 ETOT= -18.119093 -18.132557 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.202157 logg= -0.007812 ETOT= -18.115162 -18.130353 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200889 logg= -0.006955 ETOT= -18.129137 -18.140950 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202387 logg= -0.007873 ETOT= -18.111381 -18.127381 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200673 logg= -0.006611 ETOT= -18.133117 -18.143904 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.203477 logg= -0.008420 ETOT= -18.105134 -18.123338 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200762 logg= -0.006586 ETOT= -18.130358 -18.140969 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100350 logg= -0.003209 ETOT= -9.065813 -9.070881 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.204231 logg= -0.008777 ETOT= -18.101701 -18.121094 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=692 Density= 14.203477 logg= -0.008420 ETOT= -18.105134 -18.123338 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100352 logg= -0.003210 ETOT= -9.065815 -9.070880 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200995 logg= -0.006944 ETOT= -18.125973 -18.137677 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100323 logg= -0.003231 ETOT= -9.067212 -9.072709 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201511 logg= -0.007367 ETOT= -18.119094 -18.132557 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201114 logg= -0.007104 ETOT= -18.152993 -18.169304 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.200742 logg= -0.006984 ETOT= -18.134335 -18.146356 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100613 logg= -0.003579 ETOT= -9.077194 -9.085545 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200887 logg= -0.006955 ETOT= -18.129137 -18.140951 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200856 logg= -0.007218 ETOT= -18.134945 -18.147607 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200744 logg= -0.006984 ETOT= -18.134334 -18.146355 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100295 logg= -0.003279 ETOT= -9.069622 -9.075821 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Sum of eigenvalues= -10422.1296331696 eV TrLogG= -10429.9660597036 eV Ratio to renormalize= 0.999992638680 rho-rho_expected= 0.004416824438 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 25) Finished k-point number 26 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 31) Finished k-point number 32 1 with #bands= 472 12) Finished k-point number 13 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 30) Finished k-point number 31 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 39) Finished k-point number 40 1 with #bands= 476 32) Finished k-point number 33 1 with #bands= 476 11) Finished k-point number 12 1 with #bands= 468 18) Finished k-point number 19 1 with #bands= 470 8) Finished k-point number 9 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 2) Finished k-point number 3 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 41) Finished k-point number 42 1 with #bands= 480 36) Finished k-point number 37 1 with #bands= 470 38) Finished k-point number 39 1 with #bands= 470 15) Finished k-point number 16 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 10) Finished k-point number 11 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 29) Finished k-point number 30 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 6) Finished k-point number 7 1 with #bands= 472 5) Finished k-point number 6 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 1) Finished k-point number 2 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 14) Finished k-point number 15 1 with #bands= 468 21) Finished k-point number 22 1 with #bands= 466 37) Finished k-point number 38 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 23) Finished k-point number 24 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890205398822 0.747902480596044 0.757685463285944 0.757666236792668 0.757608119804243 0.757630614351206 0.747890194070803 0.747902484801969 0.757685449726263 0.757666246445929 0.757608115102602 0.757630619094470 0.747896461376232 0.747895922452601 0.757649014288988 0.757705491872081 0.757629001355522 0.757609313024357 0.747896459290347 0.747895925702643 0.757649014059437 0.757705492055456 0.757629002081494 0.757609311944574 0.747903293739553 0.747888275540135 0.757666175730740 0.757684073539818 0.757630461058525 0.757609890428784 0.747903296891106 0.747888264863823 0.757666196736355 0.757684069725559 0.757630469114050 0.757609882561593 0.747895745047159 0.747895881959499 0.757706470821896 0.757649448148870 0.757610809259547 0.757630016415375 0.747895756934506 0.747895890770534 0.757706458440462 0.757649441878955 0.757610803996217 0.757630021102662 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 7.100375 logg= -0.003188 ETOT= -9.072467 -9.079273 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=690 Density= 14.201787 logg= -0.007289 ETOT= -18.121400 -18.134731 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.201253 logg= -0.006994 ETOT= -18.128398 -18.140810 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.200760 logg= -0.006271 ETOT= -18.133061 -18.143482 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200846 logg= -0.006246 ETOT= -18.130301 -18.140549 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200685 logg= -0.006338 ETOT= -18.138000 -18.149598 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100506 logg= -0.003299 ETOT= -9.075168 -9.082748 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200739 logg= -0.006456 ETOT= -18.143801 -18.157094 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200953 logg= -0.006621 ETOT= -18.149187 -18.164033 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100377 logg= -0.003188 ETOT= -9.072465 -9.079272 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200736 logg= -0.006457 ETOT= -18.143804 -18.157096 Density= 14.201078 logg= -0.006600 ETOT= -18.125916 -18.137254 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200839 logg= -0.006661 ETOT= -18.145690 -18.159596 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100507 logg= -0.003299 ETOT= -9.075167 -9.082747 Density= 3.550352 logg= -0.001726 ETOT= -4.539000 -4.543190 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.200955 logg= -0.006620 ETOT= -18.149185 -18.164032 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.202448 logg= -0.007519 ETOT= -18.111333 -18.126959 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203024 logg= -0.007838 ETOT= -18.108699 -18.125461 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.201582 logg= -0.007018 ETOT= -18.119041 -18.132136 Density= 14.201479 logg= -0.007023 ETOT= -18.122544 -18.135234 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200979 logg= -0.006610 ETOT= -18.129075 -18.140522 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200849 logg= -0.006247 ETOT= -18.130304 -18.140548 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200977 logg= -0.006610 ETOT= -18.129075 -18.140523 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202228 logg= -0.007458 ETOT= -18.115107 -18.129926 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100393 logg= -0.003041 ETOT= -9.065788 -9.070672 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.204285 logg= -0.008413 ETOT= -18.101655 -18.120666 Density= 14.200781 logg= -0.006666 ETOT= -18.140374 -18.152770 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202228 logg= -0.007458 ETOT= -18.115107 -18.129926 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202448 logg= -0.007519 ETOT= -18.111332 -18.126959 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203534 logg= -0.008059 ETOT= -18.105087 -18.122912 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.200848 logg= -0.006639 ETOT= -18.134264 -18.145919 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200846 logg= -0.006639 ETOT= -18.134266 -18.145921 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100364 logg= -0.003062 ETOT= -9.067186 -9.072500 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100367 logg= -0.003063 ETOT= -9.067187 -9.072499 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201479 logg= -0.007023 ETOT= -18.122544 -18.135234 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203534 logg= -0.008059 ETOT= -18.105086 -18.122912 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.200764 logg= -0.006271 ETOT= -18.133060 -18.143480 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201582 logg= -0.007018 ETOT= -18.119041 -18.132136 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100395 logg= -0.003042 ETOT= -9.065791 -9.070672 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201077 logg= -0.006600 ETOT= -18.125916 -18.137254 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200970 logg= -0.006871 ETOT= -18.134867 -18.147164 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201252 logg= -0.006994 ETOT= -18.128398 -18.140810 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100654 logg= -0.003407 ETOT= -9.077168 -9.085334 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100341 logg= -0.003110 ETOT= -9.069595 -9.075609 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201204 logg= -0.006761 ETOT= -18.152937 -18.168877 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=692 Density= 7.100338 logg= -0.003110 ETOT= -9.069596 -9.075611 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200780 logg= -0.006666 ETOT= -18.140376 -18.152771 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200689 logg= -0.006338 ETOT= -18.137998 -18.149595 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100654 logg= -0.003407 ETOT= -9.077168 -9.085334 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10422.0957526307 eV TrLogG= -10429.7200286084 eV Ratio to renormalize= 0.999986465149 rho-rho_expected= 0.008121020618 nargs= 1 argi=dmft2.def 39) Finished k-point number 40 1 with #bands= 476 28) Finished k-point number 29 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 36) Finished k-point number 37 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 14) Finished k-point number 15 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 1) Finished k-point number 2 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 4) Finished k-point number 5 1 with #bands= 468 38) Finished k-point number 39 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 43) Finished k-point number 44 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 2) Finished k-point number 3 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 5) Finished k-point number 6 1 with #bands= 472 15) Finished k-point number 16 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 45) Finished k-point number 46 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 10) Finished k-point number 11 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 18) Finished k-point number 19 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 47) Finished k-point number 48 1 with #bands= 480 3) Finished k-point number 4 1 with #bands= 466 41) Finished k-point number 42 1 with #bands= 480 0) Finished k-point number 1 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 27) Finished k-point number 28 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890296586137 0.747901951008153 0.757685416469796 0.757667187788114 0.757608628929165 0.757630195488783 0.747890288211300 0.747901947872381 0.757685403690935 0.757667201167411 0.757608624523568 0.757630199925150 0.747896588257462 0.747895089972931 0.757650119262201 0.757705352887385 0.757627812609542 0.757610583896743 0.747896574289448 0.747895106190488 0.757650115050271 0.757705356611038 0.757627813126326 0.757610583037088 0.747902059433723 0.747887727334105 0.757668537514530 0.757683957054487 0.757631302427629 0.757609120803725 0.747902066540389 0.747887718821197 0.757668556139516 0.757683950321868 0.757631310622719 0.757609112812314 0.747893683160822 0.747896400875830 0.757706754767881 0.757650615190786 0.757611661970618 0.757629173853601 0.747893687038845 0.747896404641709 0.757706746422483 0.757650605391459 0.757611659909969 0.757629175355131 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.202025 logg= -0.007252 ETOT= -18.118824 -18.132133 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201274 logg= -0.006876 ETOT= -18.134064 -18.145929 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201204 logg= -0.006903 ETOT= -18.140178 -18.152782 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201197 logg= -0.006507 ETOT= -18.132855 -18.143485 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201169 logg= -0.006693 ETOT= -18.143600 -18.157102 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201122 logg= -0.006575 ETOT= -18.137795 -18.149601 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100560 logg= -0.003228 ETOT= -9.069492 -9.075611 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201165 logg= -0.006693 ETOT= -18.143603 -18.157104 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201118 logg= -0.006575 ETOT= -18.137797 -18.149603 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201285 logg= -0.006482 ETOT= -18.130094 -18.140551 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201384 logg= -0.006857 ETOT= -18.148984 -18.164040 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201263 logg= -0.006898 ETOT= -18.145491 -18.159607 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 3.550471 logg= -0.001784 ETOT= -4.538943 -4.543185 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 7.100724 logg= -0.003417 ETOT= -9.075065 -9.082749 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100592 logg= -0.003306 ETOT= -9.072365 -9.079275 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201915 logg= -0.007258 ETOT= -18.122332 -18.135236 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100723 logg= -0.003417 ETOT= -9.075066 -9.082750 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201385 logg= -0.006857 ETOT= -18.148982 -18.164039 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201202 logg= -0.006903 ETOT= -18.140179 -18.152783 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202671 logg= -0.007691 ETOT= -18.114886 -18.129922 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202671 logg= -0.007691 ETOT= -18.114887 -18.129922 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201517 logg= -0.006836 ETOT= -18.125706 -18.137255 Density= 14.201412 logg= -0.006846 ETOT= -18.128869 -18.140527 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201516 logg= -0.006836 ETOT= -18.125706 -18.137256 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201201 logg= -0.006508 ETOT= -18.132855 -18.143484 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202899 logg= -0.007750 ETOT= -18.111106 -18.126950 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201916 logg= -0.007258 ETOT= -18.122332 -18.135235 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100614 logg= -0.003159 ETOT= -9.065684 -9.070673 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.204742 logg= -0.008641 ETOT= -18.101419 -18.120650 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 14.202899 logg= -0.007750 ETOT= -18.111107 -18.126950 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100585 logg= -0.003180 ETOT= -9.067083 -9.072501 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201288 logg= -0.006483 ETOT= -18.130097 -18.140550 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203474 logg= -0.008069 ETOT= -18.108472 -18.125451 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203989 logg= -0.008289 ETOT= -18.104854 -18.122899 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202026 logg= -0.007252 ETOT= -18.118823 -18.132133 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.203989 logg= -0.008289 ETOT= -18.104854 -18.122899 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201678 logg= -0.007230 ETOT= -18.128195 -18.140819 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100587 logg= -0.003181 ETOT= -9.067083 -9.072500 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100615 logg= -0.003160 ETOT= -9.065687 -9.070672 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201648 logg= -0.006997 ETOT= -18.152727 -18.168877 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.201677 logg= -0.007230 ETOT= -18.128196 -18.140819 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201389 logg= -0.007108 ETOT= -18.134671 -18.147177 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100881 logg= -0.003525 ETOT= -9.077060 -9.085330 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.202219 logg= -0.007523 ETOT= -18.121190 -18.134735 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201410 logg= -0.006846 ETOT= -18.128869 -18.140528 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100594 logg= -0.003306 ETOT= -9.072363 -9.079274 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100557 logg= -0.003228 ETOT= -9.069494 -9.075613 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201272 logg= -0.006876 ETOT= -18.134065 -18.145930 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100881 logg= -0.003525 ETOT= -9.077060 -9.085331 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10421.9750630911 eV TrLogG= -10429.7210598033 eV Ratio to renormalize= 0.999955678203 rho-rho_expected= 0.026594256926 nargs= 1 argi=dmft2.def 42) Finished k-point number 43 1 with #bands= 472 4) Finished k-point number 5 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 17) Finished k-point number 18 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 13) Finished k-point number 14 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 37) Finished k-point number 38 1 with #bands= 470 36) Finished k-point number 37 1 with #bands= 470 6) Finished k-point number 7 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 16) Finished k-point number 17 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 0) Finished k-point number 1 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 5) Finished k-point number 6 1 with #bands= 472 39) Finished k-point number 40 1 with #bands= 476 1) Finished k-point number 2 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 40) Finished k-point number 41 1 with #bands= 480 14) Finished k-point number 15 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 2) Finished k-point number 3 1 with #bands= 468 15) Finished k-point number 16 1 with #bands= 468 18) Finished k-point number 19 1 with #bands= 470 43) Finished k-point number 44 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 38) Finished k-point number 39 1 with #bands= 470 28) Finished k-point number 29 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 20) Finished k-point number 21 1 with #bands= 472 23) Finished k-point number 24 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 11) Finished k-point number 12 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 26) Finished k-point number 27 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 27) Finished k-point number 28 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890747859204 0.747903002360531 0.757683609455753 0.757669052780297 0.757608556669455 0.757631143806588 0.747890733718180 0.747902989892547 0.757683608103159 0.757669069713109 0.757608550197632 0.757631150291743 0.747898000699486 0.747895085086229 0.757648690201915 0.757706924255220 0.757629735646042 0.757609536962504 0.747897999274157 0.747895097232603 0.757648686334967 0.757706918108321 0.757629732984433 0.757609539294536 0.747902797261660 0.747888288919370 0.757668218391314 0.757684191607970 0.757631719676629 0.757609427613044 0.747902813239501 0.747888286271120 0.757668226929422 0.757684180559654 0.757631723091066 0.757609424381094 0.747894482264232 0.747896895843359 0.757707024635729 0.757650444092251 0.757610340444517 0.757631174651518 0.747894472941303 0.747896895478047 0.757707031408784 0.757650445648551 0.757610343593533 0.757631170937551 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201051 logg= -0.006915 ETOT= -18.134875 -18.147192 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201580 logg= -0.007068 ETOT= -18.122541 -18.135252 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201344 logg= -0.007039 ETOT= -18.128401 -18.140834 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200924 logg= -0.006683 ETOT= -18.134274 -18.145950 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200831 logg= -0.006312 ETOT= -18.133072 -18.143512 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200919 logg= -0.006287 ETOT= -18.130311 -18.140579 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201061 logg= -0.006654 ETOT= -18.129081 -18.140549 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100542 logg= -0.003320 ETOT= -9.075172 -9.082763 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201165 logg= -0.006643 ETOT= -18.125920 -18.137278 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200803 logg= -0.006498 ETOT= -18.143815 -18.157129 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201026 logg= -0.006663 ETOT= -18.149194 -18.164064 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200853 logg= -0.006709 ETOT= -18.140387 -18.152802 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200910 logg= -0.006704 ETOT= -18.145700 -18.159628 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200753 logg= -0.006379 ETOT= -18.138012 -18.149630 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201892 logg= -0.007336 ETOT= -18.121395 -18.134748 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100543 logg= -0.003320 ETOT= -9.075171 -9.082762 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201024 logg= -0.006663 ETOT= -18.149196 -18.164065 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.202345 logg= -0.007505 ETOT= -18.115094 -18.129938 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100373 logg= -0.003130 ETOT= -9.069601 -9.075626 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201166 logg= -0.006644 ETOT= -18.125920 -18.137277 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200921 logg= -0.006288 ETOT= -18.130314 -18.140578 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201581 logg= -0.007068 ETOT= -18.122541 -18.135252 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203154 logg= -0.007887 ETOT= -18.108679 -18.125467 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202571 logg= -0.007566 ETOT= -18.111316 -18.126968 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202345 logg= -0.007505 ETOT= -18.115094 -18.129938 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550377 logg= -0.001736 ETOT= -4.538998 -4.543194 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201063 logg= -0.006654 ETOT= -18.129081 -18.140548 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201688 logg= -0.007064 ETOT= -18.119035 -18.132152 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100427 logg= -0.003061 ETOT= -9.065796 -9.070688 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200835 logg= -0.006312 ETOT= -18.133071 -18.143511 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.203672 logg= -0.008109 ETOT= -18.105061 -18.122915 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.202571 logg= -0.007566 ETOT= -18.111317 -18.126968 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200757 logg= -0.006379 ETOT= -18.138009 -18.149628 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.204432 logg= -0.008463 ETOT= -18.101624 -18.120665 Density= 7.100408 logg= -0.003208 ETOT= -9.072472 -9.079290 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 7.100425 logg= -0.003061 ETOT= -9.065794 -9.070688 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203672 logg= -0.008108 ETOT= -18.105062 -18.122914 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100397 logg= -0.003082 ETOT= -9.067192 -9.072517 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100370 logg= -0.003130 ETOT= -9.069602 -9.075628 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100399 logg= -0.003082 ETOT= -9.067193 -9.072515 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200926 logg= -0.006683 ETOT= -18.134273 -18.145949 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100410 logg= -0.003208 ETOT= -9.072471 -9.079288 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201345 logg= -0.007039 ETOT= -18.128400 -18.140834 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201286 logg= -0.006804 ETOT= -18.152940 -18.168904 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100698 logg= -0.003428 ETOT= -9.077168 -9.085345 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200854 logg= -0.006709 ETOT= -18.140385 -18.152801 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200807 logg= -0.006498 ETOT= -18.143812 -18.157127 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201688 logg= -0.007064 ETOT= -18.119035 -18.132152 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100698 logg= -0.003428 ETOT= -9.077168 -9.085345 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10422.0965433919 eV TrLogG= -10429.7335327179 eV Ratio to renormalize= 0.999980199732 rho-rho_expected= 0.011880395848 nargs= 1 argi=dmft2.def 25) Finished k-point number 26 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 15) Finished k-point number 16 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 1) Finished k-point number 2 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 18) Finished k-point number 19 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 2) Finished k-point number 3 1 with #bands= 468 33) Finished k-point number 34 1 with #bands= 476 0) Finished k-point number 1 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 38) Finished k-point number 39 1 with #bands= 470 48) Finished k-point number 49 1 with #bands= 480 19) Finished k-point number 20 1 with #bands= 470 27) Finished k-point number 28 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 14) Finished k-point number 15 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 3) Finished k-point number 4 1 with #bands= 466 34) Finished k-point number 35 1 with #bands= 476 40) Finished k-point number 41 1 with #bands= 480 23) Finished k-point number 24 1 with #bands= 470 32) Finished k-point number 33 1 with #bands= 476 47) Finished k-point number 48 1 with #bands= 480 10) Finished k-point number 11 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 36) Finished k-point number 37 1 with #bands= 470 5) Finished k-point number 6 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 24) Finished k-point number 25 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 16) Finished k-point number 17 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890470328218 0.747902430604179 0.757685396728534 0.757668280934424 0.757607733590713 0.757631955720053 0.747890453322982 0.747902424823448 0.757685399331013 0.757668290446053 0.757607730048449 0.757631959289262 0.747897795026519 0.747895985100641 0.757649023479084 0.757705679104172 0.757629034727365 0.757610224656211 0.747897794359285 0.747895989713073 0.757649019775360 0.757705679728088 0.757629026168185 0.757610232835835 0.747903845682676 0.747888784075490 0.757668503851398 0.757682555594978 0.757632972510797 0.757608186571424 0.747903862208969 0.747888785581788 0.757668509946248 0.757682541783697 0.757632979234720 0.757608180050135 0.747896108531852 0.747896576256259 0.757706378816610 0.757649735978415 0.757610516851849 0.757630978187758 0.747896103441759 0.747896571440910 0.757706386061024 0.757649738888770 0.757610517502038 0.757630976967329 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201353 logg= -0.006491 ETOT= -18.134069 -18.145528 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100639 logg= -0.003113 ETOT= -9.072361 -9.079070 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201747 logg= -0.006848 ETOT= -18.128211 -18.140427 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202273 logg= -0.007146 ETOT= -18.121218 -18.134355 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100641 logg= -0.003113 ETOT= -9.072359 -9.079069 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201277 logg= -0.006118 ETOT= -18.132857 -18.143080 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201260 logg= -0.006308 ETOT= -18.143596 -18.156694 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201362 logg= -0.006515 ETOT= -18.145484 -18.159197 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201360 logg= -0.006093 ETOT= -18.130098 -18.140148 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201205 logg= -0.006187 ETOT= -18.137794 -18.149195 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201478 logg= -0.006460 ETOT= -18.128882 -18.140132 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201482 logg= -0.006474 ETOT= -18.148977 -18.163631 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201484 logg= -0.006474 ETOT= -18.148975 -18.163630 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201968 logg= -0.006876 ETOT= -18.122358 -18.134852 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100773 logg= -0.003226 ETOT= -9.075061 -9.082545 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.201296 logg= -0.006519 ETOT= -18.140175 -18.152375 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203502 logg= -0.007699 ETOT= -18.108522 -18.125093 Density= 14.202710 logg= -0.007315 ETOT= -18.114926 -18.129553 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202710 logg= -0.007315 ETOT= -18.114926 -18.129553 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100602 logg= -0.003034 ETOT= -9.069491 -9.075408 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201480 logg= -0.006460 ETOT= -18.128881 -18.140131 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201576 logg= -0.006450 ETOT= -18.125723 -18.136864 Density= 3.550494 logg= -0.001690 ETOT= -4.538943 -4.543085 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100627 logg= -0.002986 ETOT= -9.067081 -9.072297 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202068 logg= -0.006871 ETOT= -18.118856 -18.131755 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.204010 logg= -0.007923 ETOT= -18.104911 -18.122548 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100654 logg= -0.002964 ETOT= -9.065683 -9.070469 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201363 logg= -0.006094 ETOT= -18.130101 -18.140148 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202068 logg= -0.006870 ETOT= -18.118856 -18.131755 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.202928 logg= -0.007376 ETOT= -18.111153 -18.126587 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202928 logg= -0.007376 ETOT= -18.111153 -18.126587 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201748 logg= -0.006848 ETOT= -18.128211 -18.140427 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201281 logg= -0.006119 ETOT= -18.132856 -18.143079 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.204010 logg= -0.007923 ETOT= -18.104911 -18.122548 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.204760 logg= -0.008281 ETOT= -18.101481 -18.120307 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.201297 logg= -0.006519 ETOT= -18.140174 -18.152374 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100656 logg= -0.002965 ETOT= -9.065686 -9.070468 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201745 logg= -0.006616 ETOT= -18.152721 -18.168471 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100629 logg= -0.002986 ETOT= -9.067082 -9.072296 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201355 logg= -0.006491 ETOT= -18.134068 -18.145527 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201264 logg= -0.006308 ETOT= -18.143593 -18.156692 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201575 logg= -0.006449 ETOT= -18.125723 -18.136864 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100604 logg= -0.003034 ETOT= -9.069490 -9.075406 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201968 logg= -0.006876 ETOT= -18.122359 -18.134853 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100928 logg= -0.003335 ETOT= -9.077058 -9.085129 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100772 logg= -0.003226 ETOT= -9.075062 -9.082545 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.201210 logg= -0.006187 ETOT= -18.137791 -18.149193 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201474 logg= -0.006725 ETOT= -18.134675 -18.146776 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100928 logg= -0.003335 ETOT= -9.077058 -9.085129 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10421.9828343034 eV TrLogG= -10429.4953941369 eV Ratio to renormalize= 0.999950799654 rho-rho_expected= 0.029521659829 nargs= 1 argi=dmft2.def 29) Finished k-point number 30 1 with #bands= 468 16) Finished k-point number 17 1 with #bands= 468 36) Finished k-point number 37 1 with #bands= 470 38) Finished k-point number 39 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 21) Finished k-point number 22 1 with #bands= 466 35) Finished k-point number 36 1 with #bands= 472 3) Finished k-point number 4 1 with #bands= 466 11) Finished k-point number 12 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 33) Finished k-point number 34 1 with #bands= 476 6) Finished k-point number 7 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 43) Finished k-point number 44 1 with #bands= 472 12) Finished k-point number 13 1 with #bands= 470 32) Finished k-point number 33 1 with #bands= 476 14) Finished k-point number 15 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 15) Finished k-point number 16 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 7) Finished k-point number 8 1 with #bands= 470 5) Finished k-point number 6 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 4) Finished k-point number 5 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 40) Finished k-point number 41 1 with #bands= 480 31) Finished k-point number 32 1 with #bands= 472 25) Finished k-point number 26 1 with #bands= 472 24) Finished k-point number 25 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 10) Finished k-point number 11 1 with #bands= 468 1) Finished k-point number 2 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 27) Finished k-point number 28 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 26) Finished k-point number 27 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890582634319 0.747902234271437 0.757685175236266 0.757668348096180 0.757608507022073 0.757630996620159 0.747890587748607 0.747902327745294 0.757685132612274 0.757668280190133 0.757608503636286 0.757631000016054 0.747897367342998 0.747895689940067 0.757649542899569 0.757706154530618 0.757628440585957 0.757610641600368 0.747897354301283 0.747895614094125 0.757649567252196 0.757706220891327 0.757628435831345 0.757610646016178 0.747904754483072 0.747890194712770 0.757666900574986 0.757681332545528 0.757631346240659 0.757609624549531 0.747904764432776 0.747890173868784 0.757666927084496 0.757681327335351 0.757631353943668 0.757609617035180 0.747896600410901 0.747898270261998 0.757704325151934 0.757649381960828 0.757611410835320 0.757629959865927 0.747896600992280 0.747898278139065 0.757704317272044 0.757649382795025 0.757611405295789 0.757629964841517 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.202049 logg= -0.007379 ETOT= -18.121307 -18.134705 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201068 logg= -0.006727 ETOT= -18.134194 -18.145914 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201857 logg= -0.007108 ETOT= -18.118941 -18.132103 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201742 logg= -0.007113 ETOT= -18.122451 -18.135208 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200978 logg= -0.006753 ETOT= -18.140316 -18.152776 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200983 logg= -0.006357 ETOT= -18.132988 -18.143473 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100476 logg= -0.003230 ETOT= -9.072433 -9.079274 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201078 logg= -0.006332 ETOT= -18.130224 -18.140536 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200894 logg= -0.006424 ETOT= -18.137934 -18.149597 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200980 logg= -0.006753 ETOT= -18.140315 -18.152775 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200931 logg= -0.006542 ETOT= -18.143743 -18.157102 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100603 logg= -0.003342 ETOT= -9.075138 -9.082751 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201066 logg= -0.006727 ETOT= -18.134195 -18.145916 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201144 logg= -0.006705 ETOT= -18.149126 -18.164041 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201026 logg= -0.006747 ETOT= -18.145634 -18.159607 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201185 logg= -0.006959 ETOT= -18.134800 -18.147162 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100604 logg= -0.003341 ETOT= -9.075137 -9.082750 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201142 logg= -0.006706 ETOT= -18.149128 -18.164042 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201493 logg= -0.007083 ETOT= -18.128317 -18.140795 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 3.550402 logg= -0.001747 ETOT= -4.538984 -4.543190 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201331 logg= -0.006689 ETOT= -18.125829 -18.137232 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200987 logg= -0.006358 ETOT= -18.132987 -18.143472 Density= 14.202509 logg= -0.007548 ETOT= -18.115001 -18.129890 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201858 logg= -0.007108 ETOT= -18.118941 -18.132103 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201081 logg= -0.006333 ETOT= -18.130227 -18.140535 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100504 logg= -0.003083 ETOT= -9.065750 -9.070667 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201742 logg= -0.007113 ETOT= -18.122450 -18.135207 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202509 logg= -0.007548 ETOT= -18.115002 -18.129890 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201220 logg= -0.006699 ETOT= -18.128994 -18.140506 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204591 logg= -0.008502 ETOT= -18.101532 -18.120616 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.203318 logg= -0.007928 ETOT= -18.108585 -18.125418 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100473 logg= -0.003230 ETOT= -9.072435 -9.079275 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.202740 logg= -0.007609 ETOT= -18.111221 -18.126917 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100473 logg= -0.003105 ETOT= -9.067150 -9.072497 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202740 logg= -0.007609 ETOT= -18.111221 -18.126917 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203835 logg= -0.008149 ETOT= -18.104967 -18.122865 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100475 logg= -0.003105 ETOT= -9.067151 -9.072496 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201492 logg= -0.007083 ETOT= -18.128318 -18.140796 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.203835 logg= -0.008149 ETOT= -18.104967 -18.122865 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201398 logg= -0.006845 ETOT= -18.152875 -18.168883 Density= 14.201330 logg= -0.006689 ETOT= -18.125829 -18.137232 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100506 logg= -0.003084 ETOT= -9.065753 -9.070667 Density= 14.201218 logg= -0.006699 ETOT= -18.128995 -18.140507 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200898 logg= -0.006424 ETOT= -18.137931 -18.149594 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100753 logg= -0.003449 ETOT= -9.077136 -9.085336 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200935 logg= -0.006542 ETOT= -18.143740 -18.157100 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100442 logg= -0.003152 ETOT= -9.069563 -9.075610 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100445 logg= -0.003152 ETOT= -9.069561 -9.075609 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100753 logg= -0.003449 ETOT= -9.077136 -9.085336 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10422.0491755505 eV TrLogG= -10429.7119095647 eV Ratio to renormalize= 0.999969850376 rho-rho_expected= 0.018090320028 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 480 9) Finished k-point number 10 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 24) Finished k-point number 25 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 1) Finished k-point number 2 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 12) Finished k-point number 13 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 16) Finished k-point number 17 1 with #bands= 468 36) Finished k-point number 37 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 2) Finished k-point number 3 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 14) Finished k-point number 15 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 33) Finished k-point number 34 1 with #bands= 476 38) Finished k-point number 39 1 with #bands= 470 35) Finished k-point number 36 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 5) Finished k-point number 6 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 34) Finished k-point number 35 1 with #bands= 476 27) Finished k-point number 28 1 with #bands= 472 4) Finished k-point number 5 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 28) Finished k-point number 29 1 with #bands= 468 40) Finished k-point number 41 1 with #bands= 480 0) Finished k-point number 1 1 with #bands= 468 7) Finished k-point number 8 1 with #bands= 470 15) Finished k-point number 16 1 with #bands= 468 29) Finished k-point number 30 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 8) Finished k-point number 9 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 20) Finished k-point number 21 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 18) Finished k-point number 19 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890532679862 0.747902921519005 0.757685846505551 0.757667014974142 0.757608179263362 0.757631336098151 0.747890524820587 0.747902925116335 0.757685837511328 0.757667016955711 0.757608176472771 0.757631338930240 0.747897624606399 0.747894826594551 0.757650393662244 0.757705753336952 0.757629844733398 0.757609246625930 0.747897626784944 0.747894826382956 0.757650388888831 0.757705758537099 0.757629840656433 0.757609250384733 0.747904497015309 0.747888765002278 0.757667114474334 0.757682787967415 0.757631956726683 0.757609035846062 0.747904491651592 0.747888788324388 0.757667117865157 0.757682774708255 0.757631962823576 0.757609029927930 0.747894719939090 0.747896565787586 0.757705995653719 0.757651257948522 0.757609843342993 0.757631518494262 0.747894731450362 0.747896533361208 0.757706013059421 0.757651262520097 0.757609842054929 0.757631519221105 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200979 logg= -0.007086 ETOT= -18.134884 -18.147401 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200998 logg= -0.006824 ETOT= -18.129084 -18.140752 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200863 logg= -0.006852 ETOT= -18.134275 -18.146151 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100354 logg= -0.003212 ETOT= -9.069591 -9.075718 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201268 logg= -0.007212 ETOT= -18.128413 -18.141047 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200873 logg= -0.006453 ETOT= -18.130299 -18.140769 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200793 logg= -0.006877 ETOT= -18.140385 -18.153001 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200709 logg= -0.006545 ETOT= -18.137998 -18.149818 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200987 logg= -0.006827 ETOT= -18.149175 -18.164248 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200786 logg= -0.006478 ETOT= -18.133059 -18.143702 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100527 logg= -0.003402 ETOT= -9.075160 -9.082853 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200761 logg= -0.006663 ETOT= -18.143799 -18.157316 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200859 logg= -0.006870 ETOT= -18.145691 -18.159821 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.203070 logg= -0.008065 ETOT= -18.108697 -18.125689 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201504 logg= -0.007242 ETOT= -18.122554 -18.135466 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201104 logg= -0.006814 ETOT= -18.125922 -18.137480 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200985 logg= -0.006827 ETOT= -18.149177 -18.164250 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200861 logg= -0.006852 ETOT= -18.134276 -18.146152 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 3.550366 logg= -0.001777 ETOT= -4.538994 -4.543241 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.202262 logg= -0.007681 ETOT= -18.115111 -18.130158 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201000 logg= -0.006824 ETOT= -18.129083 -18.140751 Density= 14.202263 logg= -0.007681 ETOT= -18.115111 -18.130158 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202490 logg= -0.007743 ETOT= -18.111332 -18.127187 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201505 logg= -0.007242 ETOT= -18.122553 -18.135466 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100678 logg= -0.003510 ETOT= -9.077158 -9.085438 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100408 logg= -0.003143 ETOT= -9.065783 -9.070779 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200790 logg= -0.006479 ETOT= -18.133058 -18.143700 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.203588 logg= -0.008287 ETOT= -18.105079 -18.123138 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.202490 logg= -0.007742 ETOT= -18.111333 -18.127187 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200876 logg= -0.006454 ETOT= -18.130302 -18.140768 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.204348 logg= -0.008643 ETOT= -18.101642 -18.120889 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 14.201613 logg= -0.007237 ETOT= -18.119047 -18.132365 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100410 logg= -0.003144 ETOT= -9.065786 -9.070779 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201268 logg= -0.007212 ETOT= -18.128414 -18.141047 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.203588 logg= -0.008287 ETOT= -18.105079 -18.123138 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100380 logg= -0.003164 ETOT= -9.067181 -9.072607 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100382 logg= -0.003165 ETOT= -9.067181 -9.072606 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201247 logg= -0.006967 ETOT= -18.152920 -18.169088 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100394 logg= -0.003290 ETOT= -9.072459 -9.079378 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100678 logg= -0.003510 ETOT= -9.077158 -9.085438 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201810 logg= -0.007511 ETOT= -18.121412 -18.134967 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200794 logg= -0.006877 ETOT= -18.140384 -18.153000 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200714 logg= -0.006545 ETOT= -18.137995 -18.149816 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201103 logg= -0.006814 ETOT= -18.125922 -18.137481 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200765 logg= -0.006663 ETOT= -18.143796 -18.157313 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201613 logg= -0.007237 ETOT= -18.119047 -18.132365 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100525 logg= -0.003402 ETOT= -9.075161 -9.082853 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 7.100357 logg= -0.003212 ETOT= -9.069589 -9.075716 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100391 logg= -0.003290 ETOT= -9.072461 -9.079380 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Sum of eigenvalues= -10422.0956316906 eV TrLogG= -10429.8489972959 eV Ratio to renormalize= 0.999984371534 rho-rho_expected= 0.009377226280 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 466 29) Finished k-point number 30 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 36) Finished k-point number 37 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 34) Finished k-point number 35 1 with #bands= 476 48) Finished k-point number 49 1 with #bands= 480 43) Finished k-point number 44 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 6) Finished k-point number 7 1 with #bands= 472 15) Finished k-point number 16 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 42) Finished k-point number 43 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 1) Finished k-point number 2 1 with #bands= 470 14) Finished k-point number 15 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 32) Finished k-point number 33 1 with #bands= 476 23) Finished k-point number 24 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 18) Finished k-point number 19 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 12) Finished k-point number 13 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 44) Finished k-point number 45 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 20) Finished k-point number 21 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 7) Finished k-point number 8 1 with #bands= 470 28) Finished k-point number 29 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 24) Finished k-point number 25 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 27) Finished k-point number 28 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747891427833644 0.747903424447152 0.757684757371013 0.757666886252581 0.757608732113476 0.757630851523814 0.747891427000660 0.747903465387780 0.757684725660066 0.757666866643230 0.757608726504793 0.757630857174900 0.747899099962254 0.747895920662623 0.757648686287718 0.757705053737768 0.757630305705982 0.757608854885543 0.747899092621767 0.747895901185840 0.757648699795075 0.757705068527746 0.757630302486835 0.757608857763324 0.747903540139439 0.747889095676463 0.757667417669273 0.757683340379850 0.757631113890394 0.757609958022359 0.747903549349091 0.747889083680737 0.757667435378163 0.757683335239555 0.757631120371107 0.757609951718451 0.747894231894653 0.747896836249200 0.757706769174685 0.757651006561998 0.757609113666091 0.757632329884381 0.747894238281653 0.747896842617750 0.757706763072921 0.757650999815815 0.757609111210873 0.757632331779023 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200714 logg= -0.007185 ETOT= -18.129201 -18.141269 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200452 logg= -0.007029 ETOT= -18.143936 -18.157850 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100205 logg= -0.003394 ETOT= -9.069655 -9.075981 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100239 logg= -0.003473 ETOT= -9.072528 -9.079646 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200448 logg= -0.007029 ETOT= -18.143939 -18.157853 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200594 logg= -0.006815 ETOT= -18.130415 -18.141283 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200499 logg= -0.006840 ETOT= -18.133181 -18.144221 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200476 logg= -0.007244 ETOT= -18.140525 -18.153540 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201340 logg= -0.007598 ETOT= -18.119153 -18.132874 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200409 logg= -0.006909 ETOT= -18.138128 -18.150345 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200663 logg= -0.007197 ETOT= -18.149324 -18.164795 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100367 logg= -0.003587 ETOT= -9.075232 -9.083124 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200665 logg= -0.007196 ETOT= -18.149322 -18.164793 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201520 logg= -0.007875 ETOT= -18.121530 -18.135489 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200534 logg= -0.007238 ETOT= -18.145838 -18.160366 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100268 logg= -0.003324 ETOT= -9.065842 -9.071036 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201978 logg= -0.008045 ETOT= -18.115224 -18.130677 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200561 logg= -0.007216 ETOT= -18.134404 -18.146679 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201341 logg= -0.007598 ETOT= -18.119153 -18.132874 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200414 logg= -0.006909 ETOT= -18.138125 -18.150343 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 3.550284 logg= -0.001871 ETOT= -4.539032 -4.543379 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201978 logg= -0.008045 ETOT= -18.115224 -18.130677 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200828 logg= -0.007175 ETOT= -18.126034 -18.137992 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200597 logg= -0.006816 ETOT= -18.130418 -18.141282 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200716 logg= -0.007185 ETOT= -18.129200 -18.141268 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200503 logg= -0.006841 ETOT= -18.133180 -18.144219 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201224 logg= -0.007604 ETOT= -18.122665 -18.135981 Density= 14.202778 logg= -0.008432 ETOT= -18.108815 -18.126215 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100517 logg= -0.003697 ETOT= -9.077232 -9.085712 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.204038 logg= -0.009016 ETOT= -18.101771 -18.121431 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.203291 logg= -0.008656 ETOT= -18.105200 -18.123669 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202210 logg= -0.008106 ETOT= -18.111442 -18.127704 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100239 logg= -0.003346 ETOT= -9.067243 -9.072866 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100236 logg= -0.003345 ETOT= -9.067242 -9.072867 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203291 logg= -0.008656 ETOT= -18.105200 -18.123669 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202210 logg= -0.008106 ETOT= -18.111442 -18.127704 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100366 logg= -0.003587 ETOT= -9.075234 -9.083125 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200924 logg= -0.007339 ETOT= -18.153069 -18.169636 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.201223 logg= -0.007604 ETOT= -18.122666 -18.135981 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100270 logg= -0.003325 ETOT= -9.065845 -9.071036 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200972 logg= -0.007576 ETOT= -18.128537 -18.141572 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100517 logg= -0.003696 ETOT= -9.077232 -9.085712 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200827 logg= -0.007175 ETOT= -18.126033 -18.137992 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100208 logg= -0.003394 ETOT= -9.069654 -9.075980 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200972 logg= -0.007576 ETOT= -18.128536 -18.141572 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200478 logg= -0.007243 ETOT= -18.140524 -18.153539 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200563 logg= -0.007216 ETOT= -18.134403 -18.146678 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200668 logg= -0.007452 ETOT= -18.135018 -18.147936 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100236 logg= -0.003473 ETOT= -9.072530 -9.079647 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Sum of eigenvalues= -10422.1678184918 eV TrLogG= -10430.1516646871 eV Ratio to renormalize= 1.000005247507 rho-rho_expected=-0.003148487937 nargs= 1 argi=dmft2.def 25) Finished k-point number 26 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 35) Finished k-point number 36 1 with #bands= 472 4) Finished k-point number 5 1 with #bands= 468 39) Finished k-point number 40 1 with #bands= 476 36) Finished k-point number 37 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 8) Finished k-point number 9 1 with #bands= 468 14) Finished k-point number 15 1 with #bands= 468 34) Finished k-point number 35 1 with #bands= 476 5) Finished k-point number 6 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 13) Finished k-point number 14 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 40) Finished k-point number 41 1 with #bands= 480 38) Finished k-point number 39 1 with #bands= 470 1) Finished k-point number 2 1 with #bands= 470 27) Finished k-point number 28 1 with #bands= 472 42) Finished k-point number 43 1 with #bands= 472 12) Finished k-point number 13 1 with #bands= 470 15) Finished k-point number 16 1 with #bands= 468 7) Finished k-point number 8 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 3) Finished k-point number 4 1 with #bands= 466 6) Finished k-point number 7 1 with #bands= 472 43) Finished k-point number 44 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 30) Finished k-point number 31 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 17) Finished k-point number 18 1 with #bands= 470 45) Finished k-point number 46 1 with #bands= 472 20) Finished k-point number 21 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747891527263527 0.747902907235761 0.757685454373461 0.757666820238000 0.757608950220982 0.757630720164598 0.747891538581386 0.747902896288006 0.757685444712776 0.757666818797328 0.757608942516988 0.757630727918554 0.747898698950894 0.747896119860241 0.757648208905659 0.757705857199218 0.757629463799769 0.757609786406474 0.747898686893407 0.747896134683428 0.757648210153316 0.757705853601154 0.757629465844789 0.757609784049935 0.747903676225965 0.747889475540148 0.757667244841129 0.757683163996966 0.757631542676431 0.757609587011760 0.747903689069528 0.747889468776112 0.757667258253995 0.757683155885847 0.757631549458702 0.757609580398443 0.747895559879146 0.747897347176167 0.757705643890533 0.757650071574874 0.757610100778833 0.757631395961826 0.747895564445582 0.747897347971379 0.757705644603498 0.757650065998363 0.757610101499361 0.757631394679516 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200938 logg= -0.006758 ETOT= -18.134252 -18.146021 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200857 logg= -0.006785 ETOT= -18.140369 -18.152879 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200885 logg= -0.006384 ETOT= -18.133022 -18.143559 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201887 logg= -0.007414 ETOT= -18.121386 -18.134833 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200981 logg= -0.006360 ETOT= -18.130257 -18.140621 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201091 logg= -0.006729 ETOT= -18.129050 -18.140612 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200795 logg= -0.006453 ETOT= -18.137970 -18.149684 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100701 logg= -0.003466 ETOT= -9.077157 -9.085383 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200940 logg= -0.006758 ETOT= -18.134251 -18.146020 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100399 logg= -0.003166 ETOT= -9.069575 -9.075650 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201041 logg= -0.006737 ETOT= -18.149169 -18.164134 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200831 logg= -0.006572 ETOT= -18.143782 -18.157191 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100555 logg= -0.003357 ETOT= -9.075155 -9.082794 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201343 logg= -0.007116 ETOT= -18.128390 -18.140915 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.203150 logg= -0.007965 ETOT= -18.108669 -18.125550 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200914 logg= -0.006779 ETOT= -18.145682 -18.159705 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201708 logg= -0.007140 ETOT= -18.119010 -18.132221 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201092 logg= -0.006729 ETOT= -18.129049 -18.140611 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201042 logg= -0.006737 ETOT= -18.149167 -18.164133 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 3.550377 logg= -0.001755 ETOT= -4.538994 -4.543214 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.202578 logg= -0.007643 ETOT= -18.111299 -18.127045 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202345 logg= -0.007583 ETOT= -18.115082 -18.130019 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201592 logg= -0.007145 ETOT= -18.122521 -18.135326 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203668 logg= -0.008186 ETOT= -18.105051 -18.122998 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201708 logg= -0.007140 ETOT= -18.119010 -18.132220 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.202345 logg= -0.007583 ETOT= -18.115082 -18.130019 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200889 logg= -0.006385 ETOT= -18.133022 -18.143558 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201205 logg= -0.006719 ETOT= -18.125883 -18.137335 Density= 7.100464 logg= -0.003096 ETOT= -9.065761 -9.070705 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202578 logg= -0.007643 ETOT= -18.111300 -18.127045 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200983 logg= -0.006360 ETOT= -18.130260 -18.140621 Density= 14.201043 logg= -0.006992 ETOT= -18.134868 -18.147277 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.204422 logg= -0.008541 ETOT= -18.101617 -18.120752 Density= 7.100466 logg= -0.003097 ETOT= -9.065764 -9.070704 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100432 logg= -0.003118 ETOT= -9.067161 -9.072535 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200856 logg= -0.006785 ETOT= -18.140371 -18.152880 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203667 logg= -0.008186 ETOT= -18.105051 -18.122998 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201204 logg= -0.006718 ETOT= -18.125883 -18.137335 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100431 logg= -0.003245 ETOT= -9.072449 -9.079315 Density= 7.100434 logg= -0.003118 ETOT= -9.067162 -9.072534 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100701 logg= -0.003466 ETOT= -9.077157 -9.085383 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200799 logg= -0.006453 ETOT= -18.137967 -18.149682 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100554 logg= -0.003357 ETOT= -9.075157 -9.082795 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.201591 logg= -0.007145 ETOT= -18.122522 -18.135327 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201295 logg= -0.006878 ETOT= -18.152918 -18.168977 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100429 logg= -0.003245 ETOT= -9.072451 -9.079316 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201342 logg= -0.007116 ETOT= -18.128390 -18.140916 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200835 logg= -0.006572 ETOT= -18.143778 -18.157189 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100402 logg= -0.003166 ETOT= -9.069574 -9.075648 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Sum of eigenvalues= -10422.0806351909 eV TrLogG= -10429.7721372149 eV Ratio to renormalize= 0.999978692533 rho-rho_expected= 0.012784752365 nargs= 1 argi=dmft2.def 36) Finished k-point number 37 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 33) Finished k-point number 34 1 with #bands= 476 30) Finished k-point number 31 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 8) Finished k-point number 9 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 35) Finished k-point number 36 1 with #bands= 472 39) Finished k-point number 40 1 with #bands= 476 14) Finished k-point number 15 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 7) Finished k-point number 8 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 15) Finished k-point number 16 1 with #bands= 468 1) Finished k-point number 2 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 17) Finished k-point number 18 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 5) Finished k-point number 6 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 11) Finished k-point number 12 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 23) Finished k-point number 24 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 40) Finished k-point number 41 1 with #bands= 480 27) Finished k-point number 28 1 with #bands= 472 25) Finished k-point number 26 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 31) Finished k-point number 32 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 24) Finished k-point number 25 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747891244459755 0.747902736038592 0.757685348214274 0.757667309189296 0.757608646446208 0.757630904989791 0.747891244802118 0.747902734635702 0.757685345916402 0.757667301886549 0.757608638534011 0.757630912934162 0.747898304639605 0.747895818323145 0.757648302957608 0.757706205925681 0.757628567301367 0.757610564565480 0.747898303033753 0.747895819657498 0.757648297872553 0.757706212337799 0.757628569169085 0.757610562369100 0.747903788624074 0.747890108674872 0.757666824818339 0.757682555774688 0.757631526915256 0.757609490996991 0.747903794445464 0.747890107799636 0.757666831768150 0.757682552098500 0.757631535626327 0.757609482452554 0.747895140613542 0.747897710936170 0.757705363354980 0.757650294339079 0.757610774363866 0.757630620869144 0.747895154910268 0.747897705135769 0.757705362669515 0.757650289269969 0.757610766389771 0.757630628286967 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 7.100275 logg= -0.003432 ETOT= -9.072508 -9.079585 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.200661 logg= -0.007129 ETOT= -18.134344 -18.146539 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200786 logg= -0.007361 ETOT= -18.134945 -18.147781 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200536 logg= -0.006945 ETOT= -18.143888 -18.157720 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200756 logg= -0.007108 ETOT= -18.149268 -18.164655 Density= 14.200573 logg= -0.006760 ETOT= -18.133139 -18.144100 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200664 logg= -0.006735 ETOT= -18.130376 -18.141164 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100240 logg= -0.003354 ETOT= -9.069637 -9.075922 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201087 logg= -0.007484 ETOT= -18.128465 -18.141418 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201439 logg= -0.007508 ETOT= -18.119093 -18.132731 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200490 logg= -0.006827 ETOT= -18.138082 -18.150220 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200639 logg= -0.007149 ETOT= -18.145774 -18.160220 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200757 logg= -0.007108 ETOT= -18.149266 -18.164654 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100243 logg= -0.003354 ETOT= -9.069636 -9.075921 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201328 logg= -0.007513 ETOT= -18.122601 -18.135833 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200667 logg= -0.006736 ETOT= -18.130379 -18.141164 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202101 logg= -0.007946 ETOT= -18.115146 -18.130511 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202919 logg= -0.008325 ETOT= -18.108723 -18.126032 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204210 logg= -0.008896 ETOT= -18.101657 -18.121218 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.200913 logg= -0.007091 ETOT= -18.125983 -18.137861 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201439 logg= -0.007508 ETOT= -18.119093 -18.132731 Density= 7.100410 logg= -0.003543 ETOT= -9.075207 -9.083057 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.202101 logg= -0.007946 ETOT= -18.115146 -18.130511 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200806 logg= -0.007100 ETOT= -18.129146 -18.141134 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200577 logg= -0.006761 ETOT= -18.133139 -18.144099 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 3.550308 logg= -0.001847 ETOT= -4.539017 -4.543342 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.202331 logg= -0.008006 ETOT= -18.111365 -18.127538 Density= 14.203443 logg= -0.008545 ETOT= -18.105100 -18.123474 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100298 logg= -0.003285 ETOT= -9.065826 -9.070981 Density= 14.203443 logg= -0.008544 ETOT= -18.105100 -18.123474 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202331 logg= -0.008006 ETOT= -18.111365 -18.127538 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100278 logg= -0.003431 ETOT= -9.072506 -9.079583 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100300 logg= -0.003286 ETOT= -9.065829 -9.070981 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100268 logg= -0.003306 ETOT= -9.067226 -9.072810 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201086 logg= -0.007484 ETOT= -18.128465 -18.141418 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200540 logg= -0.006944 ETOT= -18.143884 -18.157718 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100271 logg= -0.003307 ETOT= -9.067226 -9.072809 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201328 logg= -0.007513 ETOT= -18.122601 -18.135833 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100409 logg= -0.003543 ETOT= -9.075208 -9.083058 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200584 logg= -0.007155 ETOT= -18.140459 -18.153393 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100562 logg= -0.003650 ETOT= -9.077204 -9.085641 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200912 logg= -0.007090 ETOT= -18.125983 -18.137862 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201015 logg= -0.007247 ETOT= -18.153012 -18.169494 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.201642 logg= -0.007778 ETOT= -18.121453 -18.135327 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200494 logg= -0.006827 ETOT= -18.138080 -18.150217 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200663 logg= -0.007129 ETOT= -18.134342 -18.146537 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100562 logg= -0.003650 ETOT= -9.077204 -9.085641 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200804 logg= -0.007100 ETOT= -18.129147 -18.141135 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200585 logg= -0.007155 ETOT= -18.140458 -18.153393 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Sum of eigenvalues= -10422.1328046772 eV TrLogG= -10430.0686715427 eV Ratio to renormalize= 0.999998214861 rho-rho_expected= 0.001071085529 nargs= 1 argi=dmft2.def 42) Finished k-point number 43 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 3) Finished k-point number 4 1 with #bands= 466 5) Finished k-point number 6 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 1) Finished k-point number 2 1 with #bands= 470 36) Finished k-point number 37 1 with #bands= 470 24) Finished k-point number 25 1 with #bands= 470 43) Finished k-point number 44 1 with #bands= 472 39) Finished k-point number 40 1 with #bands= 476 33) Finished k-point number 34 1 with #bands= 476 2) Finished k-point number 3 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 34) Finished k-point number 35 1 with #bands= 476 38) Finished k-point number 39 1 with #bands= 470 14) Finished k-point number 15 1 with #bands= 468 13) Finished k-point number 14 1 with #bands= 472 4) Finished k-point number 5 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 35) Finished k-point number 36 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 15) Finished k-point number 16 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 21) Finished k-point number 22 1 with #bands= 466 40) Finished k-point number 41 1 with #bands= 480 25) Finished k-point number 26 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 45) Finished k-point number 46 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 28) Finished k-point number 29 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890246640705 0.747903113401895 0.757685239545098 0.757667662423856 0.757609013850624 0.757630540254546 0.747890232490080 0.747903107659466 0.757685243113521 0.757667667139615 0.757609008192750 0.757630545944168 0.747897755094824 0.747895981049314 0.757648651865432 0.757706074035680 0.757629580225488 0.757609549313459 0.747897756391424 0.747895992854400 0.757648640197437 0.757706075241183 0.757629578655063 0.757609550566966 0.747902807132853 0.747889277936057 0.757667969484343 0.757683224063719 0.757631634171307 0.757609391351867 0.747902819590801 0.747889277701584 0.757667975794087 0.757683213803146 0.757631641673868 0.757609384022438 0.747895002458736 0.747897083857690 0.757706276920756 0.757650339339119 0.757610422883461 0.757630974108136 0.747895007309830 0.747897082340852 0.757706274791789 0.757650338330275 0.757610419731630 0.757630976706996 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.202068 logg= -0.007406 ETOT= -18.118806 -18.132287 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100559 logg= -0.003304 ETOT= -9.069494 -9.075700 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201179 logg= -0.006845 ETOT= -18.143595 -18.157272 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201307 logg= -0.007028 ETOT= -18.134048 -18.146087 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201208 logg= -0.006660 ETOT= -18.132853 -18.143656 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201729 logg= -0.007382 ETOT= -18.128170 -18.140968 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201297 logg= -0.006635 ETOT= -18.130092 -18.140722 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201285 logg= -0.007050 ETOT= -18.145479 -18.159771 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201129 logg= -0.006727 ETOT= -18.137793 -18.149774 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202274 logg= -0.007676 ETOT= -18.121164 -18.134882 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.201395 logg= -0.007009 ETOT= -18.148978 -18.164210 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201176 logg= -0.006846 ETOT= -18.143598 -18.157275 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100556 logg= -0.003304 ETOT= -9.069495 -9.075701 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201393 logg= -0.007009 ETOT= -18.148980 -18.164211 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=694 Density= 14.201546 logg= -0.006989 ETOT= -18.125694 -18.137417 Density= 14.201729 logg= -0.007381 ETOT= -18.128170 -18.140968 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100725 logg= -0.003493 ETOT= -9.075066 -9.082837 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.202068 logg= -0.007406 ETOT= -18.118806 -18.132287 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 3.550477 logg= -0.001822 ETOT= -4.538940 -4.543226 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 7.100726 logg= -0.003493 ETOT= -9.075065 -9.082836 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100594 logg= -0.003382 ETOT= -9.072364 -9.079362 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201962 logg= -0.007410 ETOT= -18.122311 -18.135387 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202722 logg= -0.007844 ETOT= -18.114864 -18.130072 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202946 logg= -0.007904 ETOT= -18.111087 -18.127103 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203521 logg= -0.008222 ETOT= -18.108452 -18.125603 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202722 logg= -0.007844 ETOT= -18.114864 -18.130072 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201547 logg= -0.006989 ETOT= -18.125695 -18.137416 Density= 14.201299 logg= -0.006636 ETOT= -18.130095 -18.140721 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100613 logg= -0.003236 ETOT= -9.065686 -9.070761 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201309 logg= -0.007028 ETOT= -18.134046 -18.146086 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.204780 logg= -0.008795 ETOT= -18.101406 -18.120808 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 14.201445 logg= -0.006999 ETOT= -18.128855 -18.140686 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201213 logg= -0.006661 ETOT= -18.132852 -18.143654 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.204032 logg= -0.008443 ETOT= -18.104838 -18.123053 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100584 logg= -0.003257 ETOT= -9.067085 -9.072590 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.204032 logg= -0.008443 ETOT= -18.104838 -18.123053 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.202945 logg= -0.007904 ETOT= -18.111088 -18.127103 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100615 logg= -0.003236 ETOT= -9.065689 -9.070761 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201234 logg= -0.007055 ETOT= -18.140161 -18.152941 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100887 logg= -0.003601 ETOT= -9.077057 -9.085415 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201657 logg= -0.007149 ETOT= -18.152722 -18.169048 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=692 Density= 14.201962 logg= -0.007411 ETOT= -18.122312 -18.135388 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201437 logg= -0.007259 ETOT= -18.134645 -18.147327 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100586 logg= -0.003257 ETOT= -9.067086 -9.072589 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201236 logg= -0.007055 ETOT= -18.140160 -18.152940 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201443 logg= -0.006999 ETOT= -18.128855 -18.140687 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100592 logg= -0.003382 ETOT= -9.072366 -9.079364 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=690 Density= 14.201134 logg= -0.006727 ETOT= -18.137791 -18.149771 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100887 logg= -0.003601 ETOT= -9.077057 -9.085416 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10421.9683437069 eV TrLogG= -10429.8140969780 eV Ratio to renormalize= 0.999953733042 rho-rho_expected= 0.027761459452 nargs= 1 argi=dmft2.def 48) Finished k-point number 49 1 with #bands= 480 26) Finished k-point number 27 1 with #bands= 470 1) Finished k-point number 2 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 43) Finished k-point number 44 1 with #bands= 472 33) Finished k-point number 34 1 with #bands= 476 25) Finished k-point number 26 1 with #bands= 472 23) Finished k-point number 24 1 with #bands= 470 36) Finished k-point number 37 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 2) Finished k-point number 3 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 11) Finished k-point number 12 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 34) Finished k-point number 35 1 with #bands= 476 3) Finished k-point number 4 1 with #bands= 466 10) Finished k-point number 11 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 0) Finished k-point number 1 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 6) Finished k-point number 7 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 42) Finished k-point number 43 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 27) Finished k-point number 28 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 40) Finished k-point number 41 1 with #bands= 480 18) Finished k-point number 19 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 15) Finished k-point number 16 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 20) Finished k-point number 21 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 16) Finished k-point number 17 1 with #bands= 468 29) Finished k-point number 30 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890657392365 0.747903178946861 0.757685787998118 0.757666807791214 0.757608785221443 0.757630785116808 0.747890656877253 0.747903182578682 0.757685765003602 0.757666815585198 0.757608757841661 0.757630812530178 0.747897317245589 0.747895703862273 0.757650135416318 0.757705491601440 0.757629808484247 0.757609337090649 0.747897312610242 0.747895712437326 0.757650135223006 0.757705491010707 0.757629818689929 0.757609326557437 0.747903569777336 0.747888619428226 0.757668140689696 0.757682975599644 0.757631631568480 0.757609406801412 0.747903575084198 0.747888615973688 0.757668154219804 0.757682968481891 0.757631639309692 0.757609399235333 0.747894873156996 0.747896343704058 0.757706766586560 0.757650570338566 0.757610166913265 0.757631240988383 0.747894873495388 0.747896345928423 0.757706766209761 0.757650565409361 0.757610163160016 0.757631244170774 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201542 logg= -0.007094 ETOT= -18.122518 -18.135297 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201653 logg= -0.007088 ETOT= -18.119010 -18.132194 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200886 logg= -0.006711 ETOT= -18.134256 -18.145997 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200804 logg= -0.006738 ETOT= -18.140376 -18.152856 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200884 logg= -0.006711 ETOT= -18.134257 -18.145998 Density= 14.200760 logg= -0.006528 ETOT= -18.143803 -18.157181 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200893 logg= -0.006315 ETOT= -18.130289 -18.140619 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201137 logg= -0.006670 ETOT= -18.125894 -18.137318 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200801 logg= -0.006340 ETOT= -18.133052 -18.143556 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200716 logg= -0.006409 ETOT= -18.137997 -18.149678 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200757 logg= -0.006528 ETOT= -18.143806 -18.157183 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201301 logg= -0.007066 ETOT= -18.128383 -18.140883 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200971 logg= -0.006693 ETOT= -18.149190 -18.164123 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200853 logg= -0.006734 ETOT= -18.145696 -18.159688 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100519 logg= -0.003335 ETOT= -9.075167 -9.082790 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=692 Density= 14.201846 logg= -0.007361 ETOT= -18.121376 -18.134798 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200973 logg= -0.006693 ETOT= -18.149188 -18.164121 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 3.550363 logg= -0.001744 ETOT= -4.538997 -4.543209 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201301 logg= -0.007066 ETOT= -18.128382 -18.140882 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100389 logg= -0.003223 ETOT= -9.072465 -9.079314 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201031 logg= -0.006680 ETOT= -18.129058 -18.140591 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203099 logg= -0.007911 ETOT= -18.108662 -18.125520 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202527 logg= -0.007590 ETOT= -18.111294 -18.127015 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203612 logg= -0.008133 ETOT= -18.105047 -18.122970 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201138 logg= -0.006670 ETOT= -18.125895 -18.137318 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202299 logg= -0.007530 ETOT= -18.115074 -18.129986 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201543 logg= -0.007094 ETOT= -18.122518 -18.135297 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202299 logg= -0.007530 ETOT= -18.115074 -18.129986 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203612 logg= -0.008133 ETOT= -18.105047 -18.122970 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200806 logg= -0.006341 ETOT= -18.133052 -18.143554 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202527 logg= -0.007590 ETOT= -18.111294 -18.127015 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201653 logg= -0.007088 ETOT= -18.119009 -18.132194 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100353 logg= -0.003145 ETOT= -9.069595 -9.075651 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200896 logg= -0.006316 ETOT= -18.130292 -18.140619 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100413 logg= -0.003075 ETOT= -9.065784 -9.070709 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100383 logg= -0.003097 ETOT= -9.067183 -9.072538 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.204361 logg= -0.008488 ETOT= -18.101616 -18.120727 Density= 7.100356 logg= -0.003145 ETOT= -9.069594 -9.075650 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=692 Density= 7.100415 logg= -0.003076 ETOT= -9.065787 -9.070708 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200802 logg= -0.006739 ETOT= -18.140377 -18.152857 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100385 logg= -0.003097 ETOT= -9.067184 -9.072537 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100672 logg= -0.003443 ETOT= -9.077165 -9.085374 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201029 logg= -0.006680 ETOT= -18.129059 -18.140592 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201003 logg= -0.006943 ETOT= -18.134862 -18.147245 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201232 logg= -0.006834 ETOT= -18.152935 -18.168962 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100518 logg= -0.003335 ETOT= -9.075169 -9.082791 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.200720 logg= -0.006408 ETOT= -18.137994 -18.149675 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100386 logg= -0.003223 ETOT= -9.072467 -9.079315 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 7.100672 logg= -0.003444 ETOT= -9.077165 -9.085374 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10422.0873265424 eV TrLogG= -10429.7618264705 eV Ratio to renormalize= 0.999983182227 rho-rho_expected= 0.010090833706 nargs= 1 argi=dmft2.def 29) Finished k-point number 30 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 32) Finished k-point number 33 1 with #bands= 476 9) Finished k-point number 10 1 with #bands= 468 34) Finished k-point number 35 1 with #bands= 476 20) Finished k-point number 21 1 with #bands= 472 23) Finished k-point number 24 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 6) Finished k-point number 7 1 with #bands= 472 36) Finished k-point number 37 1 with #bands= 470 38) Finished k-point number 39 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 43) Finished k-point number 44 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 39) Finished k-point number 40 1 with #bands= 476 3) Finished k-point number 4 1 with #bands= 466 5) Finished k-point number 6 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 33) Finished k-point number 34 1 with #bands= 476 1) Finished k-point number 2 1 with #bands= 470 8) Finished k-point number 9 1 with #bands= 468 14) Finished k-point number 15 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 15) Finished k-point number 16 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 45) Finished k-point number 46 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 16) Finished k-point number 17 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 40) Finished k-point number 41 1 with #bands= 480 12) Finished k-point number 13 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 44) Finished k-point number 45 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 26) Finished k-point number 27 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890966847550 0.747903895781647 0.757683805687268 0.757667931297001 0.757608681529354 0.757630948222376 0.747890967487338 0.747903904274365 0.757683786046644 0.757667930315393 0.757608681757130 0.757630948010480 0.747898557142504 0.747894918189222 0.757649103240541 0.757706290712465 0.757628692646925 0.757610513647498 0.747898548495227 0.747894916845880 0.757649110605897 0.757706295195669 0.757628692939239 0.757610513017776 0.747903342343498 0.747888923869150 0.757668485064826 0.757682688198014 0.757631603970161 0.757609485322240 0.747903361177277 0.747888907678474 0.757668515682862 0.757682661599621 0.757631612306605 0.757609477155087 0.747894073506878 0.747896440649233 0.757707478460712 0.757650805575643 0.757610882235122 0.757630570515106 0.747894111126035 0.747896446141524 0.757707457983228 0.757650791559797 0.757610877862064 0.757630574305111 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 7.100423 logg= -0.003455 ETOT= -9.072430 -9.079528 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.200962 logg= -0.006783 ETOT= -18.130224 -18.141053 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100426 logg= -0.003454 ETOT= -9.072428 -9.079527 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200868 logg= -0.006807 ETOT= -18.132987 -18.143990 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201068 logg= -0.007152 ETOT= -18.129016 -18.141045 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201858 logg= -0.007837 ETOT= -18.121351 -18.135270 Density= 14.200922 logg= -0.007180 ETOT= -18.134213 -18.146450 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200819 logg= -0.006992 ETOT= -18.143741 -18.157616 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200780 logg= -0.006874 ETOT= -18.137932 -18.150112 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201023 logg= -0.007413 ETOT= -18.134828 -18.147707 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 3.550372 logg= -0.001859 ETOT= -4.538984 -4.543320 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.200901 logg= -0.007198 ETOT= -18.145639 -18.160129 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100551 logg= -0.003566 ETOT= -9.075133 -9.083005 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.201031 logg= -0.007156 ETOT= -18.149124 -18.164556 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201564 logg= -0.007569 ETOT= -18.122487 -18.135763 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201033 logg= -0.007155 ETOT= -18.149123 -18.164555 Density= 14.200842 logg= -0.007205 ETOT= -18.140328 -18.153305 Density= 14.201179 logg= -0.007142 ETOT= -18.125851 -18.137771 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202313 logg= -0.008007 ETOT= -18.115047 -18.130459 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201679 logg= -0.007564 ETOT= -18.118977 -18.132659 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201564 logg= -0.007569 ETOT= -18.122487 -18.135763 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203625 logg= -0.008612 ETOT= -18.105020 -18.123445 Density= 14.201069 logg= -0.007152 ETOT= -18.129015 -18.141044 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201318 logg= -0.007539 ETOT= -18.128353 -18.141349 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200965 logg= -0.006784 ETOT= -18.130227 -18.141053 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203111 logg= -0.008389 ETOT= -18.108636 -18.125994 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202544 logg= -0.008068 ETOT= -18.111266 -18.127486 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200873 logg= -0.006808 ETOT= -18.132987 -18.143988 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202312 logg= -0.008007 ETOT= -18.115048 -18.130459 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201678 logg= -0.007564 ETOT= -18.118977 -18.132659 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.202543 logg= -0.008068 ETOT= -18.111266 -18.127486 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100425 logg= -0.003329 ETOT= -9.067144 -9.072749 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100457 logg= -0.003308 ETOT= -9.065744 -9.070919 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203625 logg= -0.008612 ETOT= -18.105020 -18.123445 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.204373 logg= -0.008967 ETOT= -18.101588 -18.121202 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 7.100459 logg= -0.003309 ETOT= -9.065747 -9.070919 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100428 logg= -0.003330 ETOT= -9.067144 -9.072748 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100396 logg= -0.003377 ETOT= -9.069555 -9.075861 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200840 logg= -0.007205 ETOT= -18.140330 -18.153306 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201285 logg= -0.007296 ETOT= -18.152872 -18.169398 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100550 logg= -0.003566 ETOT= -9.075134 -9.083006 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.200785 logg= -0.006874 ETOT= -18.137929 -18.150109 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201319 logg= -0.007539 ETOT= -18.128353 -18.141349 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100695 logg= -0.003674 ETOT= -9.077135 -9.085594 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201178 logg= -0.007142 ETOT= -18.125850 -18.137771 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200920 logg= -0.007180 ETOT= -18.134214 -18.146451 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200823 logg= -0.006992 ETOT= -18.143737 -18.157614 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100695 logg= -0.003674 ETOT= -9.077135 -9.085594 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100393 logg= -0.003377 ETOT= -9.069556 -9.075863 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Sum of eigenvalues= -10422.0594550204 eV TrLogG= -10430.0206592208 eV Ratio to renormalize= 0.999980231864 rho-rho_expected= 0.011861116254 nargs= 1 argi=dmft2.def 33) Finished k-point number 34 1 with #bands= 476 31) Finished k-point number 32 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 8) Finished k-point number 9 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 34) Finished k-point number 35 1 with #bands= 476 42) Finished k-point number 43 1 with #bands= 472 6) Finished k-point number 7 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 2) Finished k-point number 3 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 1) Finished k-point number 2 1 with #bands= 470 5) Finished k-point number 6 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 14) Finished k-point number 15 1 with #bands= 468 38) Finished k-point number 39 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 36) Finished k-point number 37 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 15) Finished k-point number 16 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 39) Finished k-point number 40 1 with #bands= 476 23) Finished k-point number 24 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 12) Finished k-point number 13 1 with #bands= 470 43) Finished k-point number 44 1 with #bands= 472 0) Finished k-point number 1 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 18) Finished k-point number 19 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 24) Finished k-point number 25 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890204062577 0.747902667935122 0.757686077680054 0.757667806596835 0.757608722483916 0.757630956898108 0.747890106320068 0.747902641185274 0.757686085036871 0.757667913939603 0.757608714293185 0.757630965134848 0.747897608351619 0.747894701514255 0.757650077883371 0.757706663524246 0.757629895917624 0.757609361252208 0.747897690636715 0.747894730106809 0.757650061191248 0.757706569119481 0.757629897689548 0.757609359127938 0.747904421659740 0.747889075773665 0.757667273287429 0.757682671315160 0.757631519032609 0.757609608586145 0.747904439054498 0.747889071258752 0.757667278191265 0.757682663196141 0.757631523660524 0.757609604133504 0.747894216958058 0.747897603013539 0.757706617974592 0.757650363167546 0.757609889051630 0.757631609862134 0.747894215871438 0.747897600431373 0.757706625631837 0.757650360443329 0.757609887569621 0.757631610777873 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200719 logg= -0.007057 ETOT= -18.143798 -18.157736 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100499 logg= -0.003600 ETOT= -9.075164 -9.083067 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200752 logg= -0.007269 ETOT= -18.140378 -18.153419 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201256 logg= -0.007600 ETOT= -18.128384 -18.141444 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200683 logg= -0.006939 ETOT= -18.137988 -18.150230 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200769 logg= -0.006872 ETOT= -18.133043 -18.144109 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200679 logg= -0.006939 ETOT= -18.137990 -18.150232 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100338 logg= -0.003410 ETOT= -9.069589 -9.075926 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201617 logg= -0.007624 ETOT= -18.119008 -18.132752 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200865 logg= -0.006848 ETOT= -18.130279 -18.141171 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201102 logg= -0.007204 ETOT= -18.125890 -18.137875 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201806 logg= -0.007896 ETOT= -18.121376 -18.135358 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201257 logg= -0.007599 ETOT= -18.128384 -18.141444 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200715 logg= -0.007058 ETOT= -18.143801 -18.157739 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200802 logg= -0.007264 ETOT= -18.145696 -18.160248 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200931 logg= -0.007222 ETOT= -18.149183 -18.164677 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100500 logg= -0.003600 ETOT= -9.075163 -9.083066 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200929 logg= -0.007222 ETOT= -18.149185 -18.164678 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200993 logg= -0.007214 ETOT= -18.129056 -18.141149 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202262 logg= -0.008066 ETOT= -18.115073 -18.130546 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202492 logg= -0.008127 ETOT= -18.111293 -18.127574 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201617 logg= -0.007624 ETOT= -18.119008 -18.132752 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200774 logg= -0.006873 ETOT= -18.133043 -18.144107 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202262 logg= -0.008066 ETOT= -18.115073 -18.130546 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100402 logg= -0.003341 ETOT= -9.065776 -9.070983 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201103 logg= -0.007204 ETOT= -18.125891 -18.137874 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200868 logg= -0.006849 ETOT= -18.130282 -18.141171 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 3.550347 logg= -0.001876 ETOT= -4.538999 -4.543351 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.203066 logg= -0.008448 ETOT= -18.108661 -18.126079 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201504 logg= -0.007629 ETOT= -18.122517 -18.135856 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204333 logg= -0.009027 ETOT= -18.101612 -18.121284 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 7.100370 logg= -0.003362 ETOT= -9.067176 -9.072813 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202492 logg= -0.008127 ETOT= -18.111293 -18.127574 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203581 logg= -0.008671 ETOT= -18.105045 -18.123529 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.203581 logg= -0.008671 ETOT= -18.105045 -18.123529 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200991 logg= -0.007214 ETOT= -18.129056 -18.141150 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100404 logg= -0.003342 ETOT= -9.065779 -9.070982 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201503 logg= -0.007629 ETOT= -18.122518 -18.135856 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100373 logg= -0.003363 ETOT= -9.067177 -9.072812 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100372 logg= -0.003488 ETOT= -9.072460 -9.079590 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201188 logg= -0.007362 ETOT= -18.152930 -18.169518 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100647 logg= -0.003707 ETOT= -9.077164 -9.085653 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200751 logg= -0.007270 ETOT= -18.140380 -18.153420 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200839 logg= -0.007243 ETOT= -18.134258 -18.146558 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100369 logg= -0.003488 ETOT= -9.072462 -9.079591 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 7.100341 logg= -0.003410 ETOT= -9.069588 -9.075925 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200951 logg= -0.007476 ETOT= -18.134866 -18.147809 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200841 logg= -0.007243 ETOT= -18.134256 -18.146557 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100648 logg= -0.003708 ETOT= -9.077163 -9.085653 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10422.0851273382 eV TrLogG= -10430.0820900120 eV Ratio to renormalize= 0.999985863097 rho-rho_expected= 0.008482261508 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 23) Finished k-point number 24 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 13) Finished k-point number 14 1 with #bands= 472 2) Finished k-point number 3 1 with #bands= 468 33) Finished k-point number 34 1 with #bands= 476 17) Finished k-point number 18 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 11) Finished k-point number 12 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 12) Finished k-point number 13 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 48) Finished k-point number 49 1 with #bands= 480 14) Finished k-point number 15 1 with #bands= 468 15) Finished k-point number 16 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 37) Finished k-point number 38 1 with #bands= 470 36) Finished k-point number 37 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 39) Finished k-point number 40 1 with #bands= 476 27) Finished k-point number 28 1 with #bands= 472 5) Finished k-point number 6 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 35) Finished k-point number 36 1 with #bands= 472 1) Finished k-point number 2 1 with #bands= 470 32) Finished k-point number 33 1 with #bands= 476 10) Finished k-point number 11 1 with #bands= 468 31) Finished k-point number 32 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 21) Finished k-point number 22 1 with #bands= 466 8) Finished k-point number 9 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 9) Finished k-point number 10 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 38) Finished k-point number 39 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 18) Finished k-point number 19 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 28) Finished k-point number 29 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 20) Finished k-point number 21 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 30) Finished k-point number 31 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890727358051 0.747903287865480 0.757685360077214 0.757667458760094 0.757608480876329 0.757631222193457 0.747890731922007 0.747903307623459 0.757685333321753 0.757667450476217 0.757608477927368 0.757631225173146 0.747898081244445 0.747895248392525 0.757648757551494 0.757707136516819 0.757629021113859 0.757610260481748 0.747898073114602 0.747895231452204 0.757648776415310 0.757707142895185 0.757629018252940 0.757610263005133 0.747905876202834 0.747889745092280 0.757665644659977 0.757682297161450 0.757631478127114 0.757609669616187 0.747905886808946 0.747889735023328 0.757665655159880 0.757682295616389 0.757631485056316 0.757609662855324 0.747896149973322 0.747897219038165 0.757705417211025 0.757650180803767 0.757610644375013 0.757630873166455 0.747896152886698 0.747897220628024 0.757705421739535 0.757650172669328 0.757610641182821 0.757630875793118 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201077 logg= -0.006842 ETOT= -18.134204 -18.146030 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201075 logg= -0.006842 ETOT= -18.134205 -18.146031 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200919 logg= -0.006537 ETOT= -18.137932 -18.149702 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100621 logg= -0.003400 ETOT= -9.075135 -9.082802 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.200999 logg= -0.006469 ETOT= -18.132991 -18.143583 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100775 logg= -0.003508 ETOT= -9.077132 -9.085386 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201092 logg= -0.006444 ETOT= -18.130227 -18.140647 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200914 logg= -0.006537 ETOT= -18.137935 -18.149704 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200957 logg= -0.006657 ETOT= -18.143743 -18.157208 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100458 logg= -0.003208 ETOT= -9.069560 -9.075661 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201492 logg= -0.007200 ETOT= -18.128335 -18.140919 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201174 logg= -0.006822 ETOT= -18.149126 -18.164147 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201189 logg= -0.007076 ETOT= -18.134814 -18.147282 Density= 14.200961 logg= -0.006656 ETOT= -18.143740 -18.157206 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201048 logg= -0.006864 ETOT= -18.145638 -18.159717 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100455 logg= -0.003208 ETOT= -9.069561 -9.075662 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201176 logg= -0.006822 ETOT= -18.149124 -18.164146 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100622 logg= -0.003400 ETOT= -9.075134 -9.082801 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 3.550415 logg= -0.001777 ETOT= -4.538981 -4.543215 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.202498 logg= -0.007668 ETOT= -18.115027 -18.130022 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201094 logg= -0.006445 ETOT= -18.130230 -18.140646 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201004 logg= -0.006470 ETOT= -18.132990 -18.143581 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.203298 logg= -0.008052 ETOT= -18.108619 -18.125558 Density= 14.204555 logg= -0.008632 ETOT= -18.101579 -18.120771 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.201227 logg= -0.006813 ETOT= -18.129004 -18.140622 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201856 logg= -0.007225 ETOT= -18.118958 -18.132225 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201337 logg= -0.006803 ETOT= -18.125840 -18.137348 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202498 logg= -0.007668 ETOT= -18.115027 -18.130022 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100516 logg= -0.003140 ETOT= -9.065753 -9.070720 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100514 logg= -0.003139 ETOT= -9.065750 -9.070721 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202729 logg= -0.007729 ETOT= -18.111247 -18.127050 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100484 logg= -0.003160 ETOT= -9.067149 -9.072550 Density= 14.201741 logg= -0.007229 ETOT= -18.122468 -18.135330 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202729 logg= -0.007729 ETOT= -18.111248 -18.127050 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203810 logg= -0.008275 ETOT= -18.105006 -18.123010 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201225 logg= -0.006813 ETOT= -18.129005 -18.140623 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203810 logg= -0.008275 ETOT= -18.105006 -18.123011 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100486 logg= -0.003161 ETOT= -9.067150 -9.072549 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100489 logg= -0.003287 ETOT= -9.072433 -9.079326 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201741 logg= -0.007229 ETOT= -18.122468 -18.135330 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200992 logg= -0.006869 ETOT= -18.140324 -18.152890 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201438 logg= -0.006964 ETOT= -18.152869 -18.168985 Density= 14.201336 logg= -0.006803 ETOT= -18.125840 -18.137349 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100775 logg= -0.003508 ETOT= -9.077132 -9.085386 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201493 logg= -0.007200 ETOT= -18.128335 -18.140919 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202042 logg= -0.007498 ETOT= -18.121329 -18.134834 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201856 logg= -0.007224 ETOT= -18.118958 -18.132226 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200994 logg= -0.006869 ETOT= -18.140323 -18.152889 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100492 logg= -0.003287 ETOT= -9.072431 -9.079325 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Sum of eigenvalues= -10422.0554120815 eV TrLogG= -10429.7794237775 eV Ratio to renormalize= 0.999969209478 rho-rho_expected= 0.018474882240 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 20) Finished k-point number 21 1 with #bands= 472 42) Finished k-point number 43 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 32) Finished k-point number 33 1 with #bands= 476 48) Finished k-point number 49 1 with #bands= 480 21) Finished k-point number 22 1 with #bands= 466 7) Finished k-point number 8 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 5) Finished k-point number 6 1 with #bands= 472 9) Finished k-point number 10 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 11) Finished k-point number 12 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 36) Finished k-point number 37 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 43) Finished k-point number 44 1 with #bands= 472 33) Finished k-point number 34 1 with #bands= 476 46) Finished k-point number 47 1 with #bands= 476 10) Finished k-point number 11 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 26) Finished k-point number 27 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 28) Finished k-point number 29 1 with #bands= 468 1) Finished k-point number 2 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 40) Finished k-point number 41 1 with #bands= 480 35) Finished k-point number 36 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 15) Finished k-point number 16 1 with #bands= 468 14) Finished k-point number 15 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890144506096 0.747903202131853 0.757684367418243 0.757668975020230 0.757608383847395 0.757631344183970 0.747890142308520 0.747903205926604 0.757684358053964 0.757668970717467 0.757608394151873 0.757631333918508 0.747896890206453 0.747895233085889 0.757649542801795 0.757707146589207 0.757628969146492 0.757610335589355 0.747896885087821 0.747895237816028 0.757649542135049 0.757707147679678 0.757628969347265 0.757610335060978 0.747904297208161 0.747889475440610 0.757667660938976 0.757682313434746 0.757631948078364 0.757609217152386 0.747904316932479 0.747889460680216 0.757667664690857 0.757682313747995 0.757631956557896 0.757609208858349 0.747895951775390 0.747896997619377 0.757706680841460 0.757649173190089 0.757610556925789 0.757630964836927 0.747895945353890 0.747897005583710 0.757706692868984 0.757649162998466 0.757610551630506 0.757630969558451 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200961 logg= -0.006757 ETOT= -18.125993 -18.137505 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200640 logg= -0.006426 ETOT= -18.133138 -18.143733 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200861 logg= -0.006768 ETOT= -18.129153 -18.140775 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201681 logg= -0.007451 ETOT= -18.121475 -18.134982 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200730 logg= -0.006798 ETOT= -18.134344 -18.146173 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100278 logg= -0.003187 ETOT= -9.069635 -9.075737 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200723 logg= -0.006820 ETOT= -18.145768 -18.159849 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200565 logg= -0.006494 ETOT= -18.138078 -18.149850 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201142 logg= -0.007154 ETOT= -18.128475 -18.141062 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200726 logg= -0.006401 ETOT= -18.130378 -18.140800 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200858 logg= -0.007031 ETOT= -18.134944 -18.147415 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200838 logg= -0.006779 ETOT= -18.149263 -18.164286 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200616 logg= -0.006614 ETOT= -18.143883 -18.157350 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100314 logg= -0.003266 ETOT= -9.072506 -9.079400 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 7.100449 logg= -0.003378 ETOT= -9.075206 -9.082873 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200665 logg= -0.006825 ETOT= -18.140454 -18.153023 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201370 logg= -0.007183 ETOT= -18.122620 -18.135484 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200836 logg= -0.006780 ETOT= -18.149265 -18.164287 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.202347 logg= -0.007682 ETOT= -18.111404 -18.127209 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200962 logg= -0.006758 ETOT= -18.125994 -18.137505 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550338 logg= -0.001766 ETOT= -4.539011 -4.543245 Density= 14.202125 logg= -0.007621 ETOT= -18.115180 -18.130176 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.200645 logg= -0.006427 ETOT= -18.133138 -18.143732 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200863 logg= -0.006768 ETOT= -18.129153 -18.140774 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201473 logg= -0.007178 ETOT= -18.119116 -18.132386 Density= 14.200729 logg= -0.006402 ETOT= -18.130381 -18.140800 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100333 logg= -0.003118 ETOT= -9.065826 -9.070797 Density= 14.200732 logg= -0.006798 ETOT= -18.134342 -18.146172 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.204201 logg= -0.008582 ETOT= -18.101718 -18.120913 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.202126 logg= -0.007621 ETOT= -18.115179 -18.130176 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202928 logg= -0.008004 ETOT= -18.108769 -18.125710 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202347 logg= -0.007682 ETOT= -18.111404 -18.127209 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100304 logg= -0.003139 ETOT= -9.067224 -9.072626 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100335 logg= -0.003119 ETOT= -9.065829 -9.070797 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100280 logg= -0.003187 ETOT= -9.069634 -9.075736 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203443 logg= -0.008227 ETOT= -18.105153 -18.123160 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.203443 logg= -0.008227 ETOT= -18.105154 -18.123160 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201473 logg= -0.007178 ETOT= -18.119116 -18.132386 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100307 logg= -0.003140 ETOT= -9.067225 -9.072625 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200666 logg= -0.006825 ETOT= -18.140452 -18.153022 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201143 logg= -0.007154 ETOT= -18.128475 -18.141062 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201102 logg= -0.006921 ETOT= -18.153008 -18.169124 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100610 logg= -0.003487 ETOT= -9.077200 -9.085454 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100448 logg= -0.003379 ETOT= -9.075208 -9.082874 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 7.100316 logg= -0.003266 ETOT= -9.072505 -9.079399 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200619 logg= -0.006614 ETOT= -18.143880 -18.157348 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200570 logg= -0.006494 ETOT= -18.138076 -18.149847 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201369 logg= -0.007183 ETOT= -18.122620 -18.135485 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100609 logg= -0.003487 ETOT= -9.077200 -9.085454 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10422.1389407513 eV TrLogG= -10429.8641719531 eV Ratio to renormalize= 0.999994269321 rho-rho_expected= 0.003438427134 nargs= 1 argi=dmft2.def 34) Finished k-point number 35 1 with #bands= 476 10) Finished k-point number 11 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 39) Finished k-point number 40 1 with #bands= 476 3) Finished k-point number 4 1 with #bands= 466 8) Finished k-point number 9 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 41) Finished k-point number 42 1 with #bands= 480 38) Finished k-point number 39 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 7) Finished k-point number 8 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 5) Finished k-point number 6 1 with #bands= 472 1) Finished k-point number 2 1 with #bands= 470 14) Finished k-point number 15 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 12) Finished k-point number 13 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 15) Finished k-point number 16 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 36) Finished k-point number 37 1 with #bands= 470 37) Finished k-point number 38 1 with #bands= 470 48) Finished k-point number 49 1 with #bands= 480 28) Finished k-point number 29 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 13) Finished k-point number 14 1 with #bands= 472 42) Finished k-point number 43 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 24) Finished k-point number 25 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 30) Finished k-point number 31 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 21) Finished k-point number 22 1 with #bands= 466 18) Finished k-point number 19 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 23) Finished k-point number 24 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 27) Finished k-point number 28 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 16) Finished k-point number 17 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890332138882 0.747902333183451 0.757684554358214 0.757669374639130 0.757608718711175 0.757630923784779 0.747890324534419 0.747902307497492 0.757684541672730 0.757669409466794 0.757608715400967 0.757630927108929 0.747897919731593 0.747893966197135 0.757649459906815 0.757707543727780 0.757629098965561 0.757610119872463 0.747897919413297 0.747893997312404 0.757649464027113 0.757707509704569 0.757629094271685 0.757610124229891 0.747903514966149 0.747889389329200 0.757668481387501 0.757682233420320 0.757631181191796 0.757609912908537 0.747903519507977 0.747889375375087 0.757668498485717 0.757682235734831 0.757631188605069 0.757609905665847 0.747894664102109 0.747896801528669 0.757707108816547 0.757650319182625 0.757610352342853 0.757631105044754 0.747894697584109 0.747896804398848 0.757707094072501 0.757650295619712 0.757610347881757 0.757631108919910 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200955 logg= -0.007250 ETOT= -18.140285 -18.153289 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201181 logg= -0.007193 ETOT= -18.128968 -18.141026 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201804 logg= -0.007601 ETOT= -18.118919 -18.132629 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201036 logg= -0.007223 ETOT= -18.134165 -18.146431 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201151 logg= -0.007455 ETOT= -18.134772 -18.147680 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201048 logg= -0.006828 ETOT= -18.130196 -18.141053 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200956 logg= -0.006853 ETOT= -18.132960 -18.143988 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200870 logg= -0.006921 ETOT= -18.137904 -18.150110 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201994 logg= -0.007874 ETOT= -18.121287 -18.135233 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.201289 logg= -0.007183 ETOT= -18.125803 -18.137752 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201449 logg= -0.007578 ETOT= -18.128293 -18.141318 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.200910 logg= -0.007039 ETOT= -18.143714 -18.157615 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100593 logg= -0.003591 ETOT= -9.075123 -9.083007 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200875 logg= -0.006921 ETOT= -18.137902 -18.150108 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201005 logg= -0.007245 ETOT= -18.145604 -18.160120 Density= 14.202448 logg= -0.008043 ETOT= -18.114984 -18.130422 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201121 logg= -0.007204 ETOT= -18.149101 -18.164556 Density= 14.201122 logg= -0.007204 ETOT= -18.149099 -18.164555 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=694 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100431 logg= -0.003401 ETOT= -9.069549 -9.075867 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201805 logg= -0.007602 ETOT= -18.118919 -18.132629 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201692 logg= -0.007607 ETOT= -18.122428 -18.135732 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200960 logg= -0.006854 ETOT= -18.132959 -18.143987 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 3.550397 logg= -0.001871 ETOT= -4.538977 -4.543319 Density= 14.203249 logg= -0.008424 ETOT= -18.108572 -18.125954 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202676 logg= -0.008103 ETOT= -18.111205 -18.127450 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201182 logg= -0.007193 ETOT= -18.128967 -18.141025 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201290 logg= -0.007183 ETOT= -18.125803 -18.137752 Density= 14.204516 logg= -0.009000 ETOT= -18.101522 -18.121158 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202676 logg= -0.008103 ETOT= -18.111205 -18.127450 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201050 logg= -0.006829 ETOT= -18.130200 -18.141052 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202448 logg= -0.008043 ETOT= -18.114985 -18.130422 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203763 logg= -0.008645 ETOT= -18.104956 -18.123404 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.203764 logg= -0.008645 ETOT= -18.104955 -18.123404 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100461 logg= -0.003353 ETOT= -9.067137 -9.072754 Density= 7.100491 logg= -0.003332 ETOT= -9.065738 -9.070925 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100493 logg= -0.003333 ETOT= -9.065740 -9.070925 Density= 14.200954 logg= -0.007250 ETOT= -18.140286 -18.153290 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201034 logg= -0.007223 ETOT= -18.134167 -18.146432 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100463 logg= -0.003354 ETOT= -9.067137 -9.072753 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201376 logg= -0.007344 ETOT= -18.152849 -18.169398 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=692 Density= 7.100741 logg= -0.003698 ETOT= -9.077123 -9.085593 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100463 logg= -0.003479 ETOT= -9.072421 -9.079532 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=690 Density= 14.201692 logg= -0.007607 ETOT= -18.122429 -18.135732 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100742 logg= -0.003698 ETOT= -9.077123 -9.085593 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201450 logg= -0.007578 ETOT= -18.128293 -18.141318 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.200913 logg= -0.007039 ETOT= -18.143711 -18.157613 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100465 logg= -0.003479 ETOT= -9.072420 -9.079530 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100434 logg= -0.003401 ETOT= -9.069547 -9.075865 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 7.100591 logg= -0.003591 ETOT= -9.075125 -9.083008 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Sum of eigenvalues= -10422.0351904162 eV TrLogG= -10430.0112744149 eV Ratio to renormalize= 0.999972553959 rho-rho_expected= 0.016468076483 nargs= 1 argi=dmft2.def 40) Finished k-point number 41 1 with #bands= 480 9) Finished k-point number 10 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 33) Finished k-point number 34 1 with #bands= 476 23) Finished k-point number 24 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 48) Finished k-point number 49 1 with #bands= 480 1) Finished k-point number 2 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 36) Finished k-point number 37 1 with #bands= 470 6) Finished k-point number 7 1 with #bands= 472 4) Finished k-point number 5 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 43) Finished k-point number 44 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 0) Finished k-point number 1 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 8) Finished k-point number 9 1 with #bands= 468 18) Finished k-point number 19 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 41) Finished k-point number 42 1 with #bands= 480 38) Finished k-point number 39 1 with #bands= 470 15) Finished k-point number 16 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 20) Finished k-point number 21 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 11) Finished k-point number 12 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 31) Finished k-point number 32 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 24) Finished k-point number 25 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 16) Finished k-point number 17 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890526681850 0.747903912513918 0.757683945560537 0.757668559511786 0.757609095869016 0.757630669901958 0.747890552981240 0.747903845555348 0.757683961485511 0.757668572625274 0.757609104378614 0.757630661420159 0.747898100373723 0.747895863948453 0.757648385399918 0.757706889903669 0.757628908940794 0.757610434184790 0.747898121769219 0.747895847589407 0.757648406141499 0.757706864938715 0.757628909674602 0.757610433121094 0.747902920397646 0.747889842041639 0.757668142726421 0.757682856196113 0.757631126105984 0.757610072653962 0.747902933226676 0.747889801439392 0.757668152123381 0.757682878664031 0.757631135813582 0.757610063116451 0.747895063084916 0.747896445451902 0.757707083230973 0.757650349012945 0.757610292817373 0.757631262352301 0.747895062033684 0.747896447993421 0.757707099124941 0.757650338693978 0.757610285454717 0.757631269134503 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201499 logg= -0.007354 ETOT= -18.128301 -18.141071 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201219 logg= -0.007229 ETOT= -18.134767 -18.147421 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201060 logg= -0.006622 ETOT= -18.132926 -18.143705 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202019 logg= -0.007652 ETOT= -18.121313 -18.135003 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201145 logg= -0.006598 ETOT= -18.130167 -18.140774 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201039 logg= -0.006808 ETOT= -18.143666 -18.157318 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201122 logg= -0.007014 ETOT= -18.145565 -18.159830 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201839 logg= -0.007379 ETOT= -18.118939 -18.132392 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200987 logg= -0.006689 ETOT= -18.137864 -18.149820 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100667 logg= -0.003474 ETOT= -9.075093 -9.082853 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201261 logg= -0.006972 ETOT= -18.149044 -18.164252 Density= 7.100501 logg= -0.003284 ETOT= -9.069520 -9.075715 Density= 7.100537 logg= -0.003362 ETOT= -9.072390 -9.079377 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201050 logg= -0.007021 ETOT= -18.140261 -18.153013 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201259 logg= -0.006972 ETOT= -18.149046 -18.164254 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.202458 logg= -0.007823 ETOT= -18.115022 -18.130201 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201498 logg= -0.007354 ETOT= -18.128302 -18.141072 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202680 logg= -0.007885 ETOT= -18.111247 -18.127234 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202458 logg= -0.007824 ETOT= -18.115022 -18.130201 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100550 logg= -0.003216 ETOT= -9.065715 -9.070779 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201353 logg= -0.006957 ETOT= -18.125800 -18.137496 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203732 logg= -0.008430 ETOT= -18.105023 -18.123210 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201839 logg= -0.007379 ETOT= -18.118938 -18.132392 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201148 logg= -0.006599 ETOT= -18.130170 -18.140773 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100535 logg= -0.003363 ETOT= -9.072392 -9.079378 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201064 logg= -0.006623 ETOT= -18.132926 -18.143704 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.204459 logg= -0.008786 ETOT= -18.101606 -18.120979 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 14.202680 logg= -0.007885 ETOT= -18.111247 -18.127234 Density= 3.550426 logg= -0.001814 ETOT= -4.538967 -4.543247 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203233 logg= -0.008207 ETOT= -18.108628 -18.125751 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100809 logg= -0.003583 ETOT= -9.077097 -9.085443 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201731 logg= -0.007384 ETOT= -18.122444 -18.135492 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100552 logg= -0.003217 ETOT= -9.065718 -9.070779 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100523 logg= -0.003237 ETOT= -9.067112 -9.072606 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201252 logg= -0.006966 ETOT= -18.128960 -18.140765 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203732 logg= -0.008430 ETOT= -18.105023 -18.123210 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100526 logg= -0.003237 ETOT= -9.067113 -9.072605 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201352 logg= -0.006956 ETOT= -18.125800 -18.137496 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201051 logg= -0.007021 ETOT= -18.140259 -18.153012 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200991 logg= -0.006689 ETOT= -18.137861 -18.149818 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201042 logg= -0.006807 ETOT= -18.143663 -18.157316 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201515 logg= -0.007113 ETOT= -18.152794 -18.169096 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100809 logg= -0.003583 ETOT= -9.077097 -9.085443 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201250 logg= -0.006966 ETOT= -18.128960 -18.140766 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201117 logg= -0.006995 ETOT= -18.134150 -18.146164 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201731 logg= -0.007384 ETOT= -18.122444 -18.135493 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100665 logg= -0.003475 ETOT= -9.075094 -9.082854 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201115 logg= -0.006995 ETOT= -18.134152 -18.146165 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100498 logg= -0.003284 ETOT= -9.069521 -9.075716 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Sum of eigenvalues= -10422.0297523948 eV TrLogG= -10429.8607102297 eV Ratio to renormalize= 0.999967372460 rho-rho_expected= 0.019577162743 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 33) Finished k-point number 34 1 with #bands= 476 38) Finished k-point number 39 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 15) Finished k-point number 16 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 16) Finished k-point number 17 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 47) Finished k-point number 48 1 with #bands= 480 32) Finished k-point number 33 1 with #bands= 476 37) Finished k-point number 38 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 6) Finished k-point number 7 1 with #bands= 472 10) Finished k-point number 11 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 1) Finished k-point number 2 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 25) Finished k-point number 26 1 with #bands= 472 0) Finished k-point number 1 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 36) Finished k-point number 37 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 45) Finished k-point number 46 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 18) Finished k-point number 19 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 20) Finished k-point number 21 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 22) Finished k-point number 23 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 19) Finished k-point number 20 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890221099868 0.747903093120948 0.757685731192692 0.757667782906637 0.757609246909525 0.757630482750130 0.747890230217787 0.747903085916369 0.757685714884235 0.757667790838013 0.757609255802181 0.757630473890148 0.747896933914251 0.747895256025594 0.757650074295134 0.757706861995050 0.757629277092520 0.757610029999063 0.747896942922490 0.747895270346115 0.757650055164551 0.757706852391737 0.757629279357104 0.757610027422500 0.747902926245930 0.747889864097291 0.757668131291259 0.757682777792724 0.757631056576214 0.757610108334938 0.747902911205464 0.747889856639912 0.757668177963779 0.757682763855237 0.757631062468130 0.757610102627188 0.747895257160698 0.747896732017348 0.757706885485896 0.757650007329337 0.757610329750618 0.757631194086400 0.747895283026370 0.747896730481694 0.757706859075622 0.757650011716665 0.757610325645908 0.757631197618350 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201095 logg= -0.006918 ETOT= -18.129013 -18.140801 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201090 logg= -0.007180 ETOT= -18.134802 -18.147441 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201381 logg= -0.007302 ETOT= -18.128327 -18.141082 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201382 logg= -0.007302 ETOT= -18.128327 -18.141082 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200888 logg= -0.006976 ETOT= -18.140319 -18.153054 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100388 logg= -0.003264 ETOT= -9.069572 -9.075755 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201926 logg= -0.007597 ETOT= -18.121320 -18.134997 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201197 logg= -0.006908 ETOT= -18.125852 -18.137530 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200864 logg= -0.006579 ETOT= -18.133009 -18.143767 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200952 logg= -0.006554 ETOT= -18.130248 -18.140833 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200785 logg= -0.006647 ETOT= -18.137950 -18.149885 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200834 logg= -0.006766 ETOT= -18.143753 -18.157385 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200942 logg= -0.006971 ETOT= -18.145635 -18.159883 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201058 logg= -0.006930 ETOT= -18.149131 -18.164319 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100559 logg= -0.003454 ETOT= -9.075140 -9.082890 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201056 logg= -0.006930 ETOT= -18.149133 -18.164320 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.204464 logg= -0.008723 ETOT= -18.101545 -18.120912 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=692 Density= 14.201610 logg= -0.007331 ETOT= -18.122470 -18.135503 Density= 3.550389 logg= -0.001803 ETOT= -4.538980 -4.543255 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201714 logg= -0.007325 ETOT= -18.118966 -18.132404 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100424 logg= -0.003342 ETOT= -9.072441 -9.079417 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.202596 logg= -0.007826 ETOT= -18.111245 -18.127220 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200868 logg= -0.006580 ETOT= -18.133008 -18.143766 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201611 logg= -0.007331 ETOT= -18.122469 -18.135503 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201096 logg= -0.006918 ETOT= -18.129012 -18.140800 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202374 logg= -0.007766 ETOT= -18.115021 -18.130188 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202596 logg= -0.007826 ETOT= -18.111245 -18.127220 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203700 logg= -0.008368 ETOT= -18.104986 -18.123164 Density= 14.203182 logg= -0.008147 ETOT= -18.108604 -18.125716 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200961 logg= -0.006948 ETOT= -18.134204 -18.146200 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202373 logg= -0.007766 ETOT= -18.115021 -18.130188 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100442 logg= -0.003195 ETOT= -9.065764 -9.070816 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201198 logg= -0.006908 ETOT= -18.125852 -18.137530 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100413 logg= -0.003217 ETOT= -9.067163 -9.072645 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100444 logg= -0.003196 ETOT= -9.065767 -9.070816 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203700 logg= -0.008368 ETOT= -18.104986 -18.123164 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200955 logg= -0.006555 ETOT= -18.130251 -18.140833 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201322 logg= -0.007070 ETOT= -18.152874 -18.169156 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100422 logg= -0.003342 ETOT= -9.072443 -9.079418 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.200890 logg= -0.006975 ETOT= -18.140317 -18.153053 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100415 logg= -0.003217 ETOT= -9.067164 -9.072644 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100718 logg= -0.003561 ETOT= -9.077134 -9.085471 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200959 logg= -0.006948 ETOT= -18.134205 -18.146201 Density= 14.201714 logg= -0.007325 ETOT= -18.118966 -18.132404 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200837 logg= -0.006765 ETOT= -18.143750 -18.157383 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100558 logg= -0.003454 ETOT= -9.075141 -9.082891 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100385 logg= -0.003264 ETOT= -9.069573 -9.075756 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200789 logg= -0.006647 ETOT= -18.137947 -18.149883 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100718 logg= -0.003562 ETOT= -9.077134 -9.085471 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10422.0576489461 eV TrLogG= -10429.8787088661 eV Ratio to renormalize= 0.999977944918 rho-rho_expected= 0.013233341286 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 1) Finished k-point number 2 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 14) Finished k-point number 15 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 5) Finished k-point number 6 1 with #bands= 472 13) Finished k-point number 14 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 34) Finished k-point number 35 1 with #bands= 476 10) Finished k-point number 11 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 7) Finished k-point number 8 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 6) Finished k-point number 7 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 2) Finished k-point number 3 1 with #bands= 468 0) Finished k-point number 1 1 with #bands= 468 36) Finished k-point number 37 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 18) Finished k-point number 19 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 42) Finished k-point number 43 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 43) Finished k-point number 44 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 35) Finished k-point number 36 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 12) Finished k-point number 13 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 22) Finished k-point number 23 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 26) Finished k-point number 27 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 30) Finished k-point number 31 1 with #bands= 470 28) Finished k-point number 29 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890819941564 0.747904401387733 0.757684085056003 0.757667296497384 0.757608711033463 0.757631043281167 0.747890812971414 0.747904403809924 0.757684070797914 0.757667304181984 0.757608716977044 0.757631037372156 0.747897288165339 0.747896116835595 0.757649336132671 0.757706119252871 0.757629147427808 0.757610182732518 0.747897292469105 0.747896124675280 0.757649328749059 0.757706116145441 0.757629145272847 0.757610184571843 0.747903549955083 0.747889583696310 0.757668143949784 0.757682398674593 0.757631843983089 0.757609345978380 0.747903599749130 0.747889570861170 0.757668152215616 0.757682364045981 0.757631851031809 0.757609339100192 0.747895564128282 0.747896123016375 0.757707466784192 0.757649604937498 0.757610803364244 0.757630741315264 0.747895550124090 0.747896121999128 0.757707470143885 0.757649614988923 0.757610800237904 0.757630743861916 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201255 logg= -0.007301 ETOT= -18.122661 -18.135665 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200610 logg= -0.006916 ETOT= -18.134390 -18.146357 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200459 logg= -0.006613 ETOT= -18.138118 -18.150027 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200510 logg= -0.006732 ETOT= -18.143920 -18.157525 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201565 logg= -0.007568 ETOT= -18.121515 -18.135162 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 7.100535 logg= -0.003544 ETOT= -9.077230 -9.085552 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200531 logg= -0.006546 ETOT= -18.133181 -18.143913 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200455 logg= -0.006613 ETOT= -18.138120 -18.150029 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200507 logg= -0.006732 ETOT= -18.143923 -18.157527 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100395 logg= -0.003437 ETOT= -9.075225 -9.082961 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.200618 logg= -0.006521 ETOT= -18.130420 -18.140979 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200605 logg= -0.006937 ETOT= -18.145812 -18.160031 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201021 logg= -0.007271 ETOT= -18.128519 -18.141245 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200727 logg= -0.006896 ETOT= -18.149303 -18.164462 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200726 logg= -0.006896 ETOT= -18.149305 -18.164464 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 3.550288 logg= -0.001794 ETOT= -4.539034 -4.543301 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.200535 logg= -0.006547 ETOT= -18.133180 -18.143911 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202828 logg= -0.008118 ETOT= -18.108798 -18.125878 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201021 logg= -0.007271 ETOT= -18.128520 -18.141245 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202245 logg= -0.007798 ETOT= -18.111436 -18.127380 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201256 logg= -0.007301 ETOT= -18.122660 -18.135664 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200621 logg= -0.006522 ETOT= -18.130423 -18.140979 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200748 logg= -0.006887 ETOT= -18.129196 -18.140956 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204112 logg= -0.008694 ETOT= -18.101739 -18.121073 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 14.200850 logg= -0.006877 ETOT= -18.126036 -18.137686 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202018 logg= -0.007737 ETOT= -18.115214 -18.130351 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100281 logg= -0.003178 ETOT= -9.065846 -9.070886 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202245 logg= -0.007798 ETOT= -18.111436 -18.127380 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203349 logg= -0.008340 ETOT= -18.105178 -18.123325 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202017 logg= -0.007737 ETOT= -18.115214 -18.130351 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100283 logg= -0.003179 ETOT= -9.065849 -9.070885 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201363 logg= -0.007296 ETOT= -18.119155 -18.132564 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.203348 logg= -0.008340 ETOT= -18.105178 -18.123325 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200849 logg= -0.006877 ETOT= -18.126036 -18.137686 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200612 logg= -0.006916 ETOT= -18.134388 -18.146355 Density= 7.100252 logg= -0.003199 ETOT= -9.067244 -9.072714 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100255 logg= -0.003200 ETOT= -9.067245 -9.072713 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201362 logg= -0.007296 ETOT= -18.119155 -18.132564 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100226 logg= -0.003247 ETOT= -9.069654 -9.075825 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200973 logg= -0.007036 ETOT= -18.153057 -18.169310 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100266 logg= -0.003325 ETOT= -9.072523 -9.079485 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200544 logg= -0.006943 ETOT= -18.140499 -18.153206 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200746 logg= -0.006887 ETOT= -18.129197 -18.140957 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100394 logg= -0.003437 ETOT= -9.075226 -9.082962 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 7.100534 logg= -0.003544 ETOT= -9.077230 -9.085552 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200542 logg= -0.006943 ETOT= -18.140501 -18.153207 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100263 logg= -0.003325 ETOT= -9.072524 -9.079487 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 7.100229 logg= -0.003247 ETOT= -9.069653 -9.075823 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200732 logg= -0.007148 ETOT= -18.134993 -18.147602 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Sum of eigenvalues= -10422.1622008297 eV TrLogG= -10429.9667462188 eV Ratio to renormalize= 1.000002156345 rho-rho_expected=-0.001293804092 nargs= 1 argi=dmft2.def 38) Finished k-point number 39 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 48) Finished k-point number 49 1 with #bands= 480 34) Finished k-point number 35 1 with #bands= 476 27) Finished k-point number 28 1 with #bands= 472 39) Finished k-point number 40 1 with #bands= 476 36) Finished k-point number 37 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 43) Finished k-point number 44 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 14) Finished k-point number 15 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 19) Finished k-point number 20 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 15) Finished k-point number 16 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 13) Finished k-point number 14 1 with #bands= 472 10) Finished k-point number 11 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 24) Finished k-point number 25 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 25) Finished k-point number 26 1 with #bands= 472 1) Finished k-point number 2 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 4) Finished k-point number 5 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 32) Finished k-point number 33 1 with #bands= 476 33) Finished k-point number 34 1 with #bands= 476 8) Finished k-point number 9 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 18) Finished k-point number 19 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 0) Finished k-point number 1 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 21) Finished k-point number 22 1 with #bands= 466 20) Finished k-point number 21 1 with #bands= 472 44) Finished k-point number 45 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747889950885122 0.747903258304635 0.757685427306656 0.757668137244044 0.757609463919058 0.757630334012280 0.747889939314297 0.747903269625287 0.757685414819597 0.757668139607445 0.757609472804952 0.757630325169436 0.747897302581360 0.747894612193960 0.757649931656289 0.757707121570592 0.757629634317429 0.757609740100840 0.747897305635364 0.747894605748777 0.757649932218780 0.757707125427569 0.757629628444893 0.757609745661785 0.747903178748994 0.747889757039219 0.757667303337333 0.757683485123986 0.757631556862131 0.757609671633614 0.747903195544408 0.747889789814981 0.757667281864733 0.757683468585278 0.757631565465684 0.757609663208065 0.747894765925353 0.747896786527043 0.757707066965327 0.757650240790913 0.757610588794153 0.757630994888941 0.747894761359068 0.747896718196021 0.757707118053834 0.757650261981765 0.757610583684105 0.757630999428912 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200430 logg= -0.007081 ETOT= -18.134452 -18.146621 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200432 logg= -0.007081 ETOT= -18.134451 -18.146620 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200849 logg= -0.007435 ETOT= -18.128574 -18.141503 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200850 logg= -0.007435 ETOT= -18.128574 -18.141503 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201196 logg= -0.007459 ETOT= -18.119207 -18.132818 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200346 logg= -0.006713 ETOT= -18.133251 -18.144182 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100464 logg= -0.003626 ETOT= -9.077250 -9.085673 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100173 logg= -0.003408 ETOT= -9.072557 -9.079619 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200321 logg= -0.006898 ETOT= -18.143991 -18.157795 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201087 logg= -0.007464 ETOT= -18.122713 -18.135920 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200549 logg= -0.007061 ETOT= -18.149366 -18.164726 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200435 logg= -0.006689 ETOT= -18.130490 -18.141248 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100310 logg= -0.003519 ETOT= -9.075254 -9.083090 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.200268 logg= -0.006781 ETOT= -18.138190 -18.150299 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 3.550258 logg= -0.001835 ETOT= -4.539040 -4.543358 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.200551 logg= -0.007061 ETOT= -18.149364 -18.164724 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200421 logg= -0.007103 ETOT= -18.145877 -18.160297 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200350 logg= -0.006714 ETOT= -18.133250 -18.144180 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201858 logg= -0.007898 ETOT= -18.115259 -18.130599 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201858 logg= -0.007898 ETOT= -18.115259 -18.130599 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203973 logg= -0.008851 ETOT= -18.101769 -18.121307 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 7.100186 logg= -0.003263 ETOT= -9.065883 -9.071022 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201401 logg= -0.007729 ETOT= -18.121563 -18.135414 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200675 logg= -0.007042 ETOT= -18.126096 -18.137947 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200571 logg= -0.007052 ETOT= -18.129257 -18.141218 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202677 logg= -0.008277 ETOT= -18.108836 -18.126121 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200569 logg= -0.007052 ETOT= -18.129258 -18.141219 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100188 logg= -0.003263 ETOT= -9.065886 -9.071022 Density= 14.200437 logg= -0.006690 ETOT= -18.130493 -18.141247 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201088 logg= -0.007464 ETOT= -18.122712 -18.135919 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201196 logg= -0.007459 ETOT= -18.119206 -18.132818 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.202087 logg= -0.007958 ETOT= -18.111479 -18.127627 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203202 logg= -0.008498 ETOT= -18.105213 -18.123564 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.203202 logg= -0.008498 ETOT= -18.105213 -18.123564 Density= 14.200272 logg= -0.006780 ETOT= -18.138188 -18.150296 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100309 logg= -0.003519 ETOT= -9.075256 -9.083091 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 7.100157 logg= -0.003284 ETOT= -9.067281 -9.072850 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200358 logg= -0.007108 ETOT= -18.140566 -18.153474 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202087 logg= -0.007958 ETOT= -18.111479 -18.127627 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200325 logg= -0.006898 ETOT= -18.143988 -18.157793 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200553 logg= -0.007312 ETOT= -18.135052 -18.147864 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200817 logg= -0.007201 ETOT= -18.153105 -18.169560 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100464 logg= -0.003626 ETOT= -9.077250 -9.085673 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100160 logg= -0.003284 ETOT= -9.067282 -9.072849 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100132 logg= -0.003331 ETOT= -9.069691 -9.075961 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200674 logg= -0.007042 ETOT= -18.126096 -18.137947 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100171 logg= -0.003409 ETOT= -9.072559 -9.079621 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.200359 logg= -0.007108 ETOT= -18.140564 -18.153473 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100134 logg= -0.003331 ETOT= -9.069689 -9.075959 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Sum of eigenvalues= -10422.1950985081 eV TrLogG= -10430.1154856588 eV Ratio to renormalize= 1.000014282870 rho-rho_expected=-0.008569599592 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 472 10) Finished k-point number 11 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 2) Finished k-point number 3 1 with #bands= 468 38) Finished k-point number 39 1 with #bands= 470 9) Finished k-point number 10 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 33) Finished k-point number 34 1 with #bands= 476 27) Finished k-point number 28 1 with #bands= 472 34) Finished k-point number 35 1 with #bands= 476 24) Finished k-point number 25 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 15) Finished k-point number 16 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 36) Finished k-point number 37 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 14) Finished k-point number 15 1 with #bands= 468 1) Finished k-point number 2 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 39) Finished k-point number 40 1 with #bands= 476 17) Finished k-point number 18 1 with #bands= 470 8) Finished k-point number 9 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 3) Finished k-point number 4 1 with #bands= 466 44) Finished k-point number 45 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 7) Finished k-point number 8 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 5) Finished k-point number 6 1 with #bands= 472 0) Finished k-point number 1 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 31) Finished k-point number 32 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 18) Finished k-point number 19 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890562309669 0.747903531971403 0.757684215698456 0.757668625060882 0.757609567407491 0.757630225462695 0.747890550129717 0.747903536701193 0.757684214992333 0.757668623985493 0.757609557547744 0.757630235340857 0.747897273623512 0.747895791152638 0.757649009673152 0.757707138050704 0.757629309486206 0.757610060075122 0.747897273336512 0.747895794778920 0.757649002873515 0.757707139604437 0.757629325592821 0.757610043657845 0.747902324331349 0.747890860987364 0.757667684071517 0.757683059520039 0.757631298331723 0.757609925629287 0.747902339026926 0.747890867405262 0.757667688823177 0.757683042381115 0.757631304383768 0.757609919751080 0.747894651028957 0.747896666257200 0.757707605402155 0.757650084514252 0.757610612063714 0.757630967547125 0.747894653470358 0.747896650628657 0.757707617577436 0.757650086387222 0.757610616647067 0.757630962390936 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201315 logg= -0.007066 ETOT= -18.128398 -18.140883 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200759 logg= -0.006411 ETOT= -18.137998 -18.149665 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200814 logg= -0.006528 ETOT= -18.143797 -18.157160 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200911 logg= -0.006320 ETOT= -18.130304 -18.140622 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200827 logg= -0.006344 ETOT= -18.133063 -18.143553 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201141 logg= -0.006673 ETOT= -18.125917 -18.137327 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100712 logg= -0.003442 ETOT= -9.077153 -9.085355 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201655 logg= -0.007090 ETOT= -18.119034 -18.132202 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200754 logg= -0.006411 ETOT= -18.138000 -18.149667 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200908 logg= -0.006712 ETOT= -18.134267 -18.145994 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100553 logg= -0.003335 ETOT= -9.075160 -9.082775 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=692 Density= 14.200912 logg= -0.006733 ETOT= -18.145686 -18.159663 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200810 logg= -0.006529 ETOT= -18.143800 -18.157162 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201038 logg= -0.006692 ETOT= -18.149176 -18.164093 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201855 logg= -0.007361 ETOT= -18.121395 -18.134800 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204387 logg= -0.008483 ETOT= -18.101625 -18.120716 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=692 Density= 14.200831 logg= -0.006345 ETOT= -18.133063 -18.143552 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201039 logg= -0.006692 ETOT= -18.149174 -18.164092 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201548 logg= -0.007095 ETOT= -18.122540 -18.135303 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202307 logg= -0.007530 ETOT= -18.115094 -18.129989 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201142 logg= -0.006673 ETOT= -18.125917 -18.137326 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100428 logg= -0.003078 ETOT= -9.065789 -9.070707 Density= 14.200914 logg= -0.006320 ETOT= -18.130307 -18.140621 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201042 logg= -0.006683 ETOT= -18.129076 -18.140595 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202307 logg= -0.007530 ETOT= -18.115094 -18.129989 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100400 logg= -0.003099 ETOT= -9.067187 -9.072535 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203631 logg= -0.008130 ETOT= -18.105061 -18.122965 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201655 logg= -0.007090 ETOT= -18.119034 -18.132202 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.203113 logg= -0.007909 ETOT= -18.108679 -18.125518 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550387 logg= -0.001743 ETOT= -4.538989 -4.543197 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201040 logg= -0.006683 ETOT= -18.129077 -18.140596 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202534 logg= -0.007590 ETOT= -18.111315 -18.127018 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202534 logg= -0.007590 ETOT= -18.111315 -18.127018 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201547 logg= -0.007095 ETOT= -18.122540 -18.135303 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100415 logg= -0.003224 ETOT= -9.072463 -9.079304 Density= 14.203631 logg= -0.008130 ETOT= -18.105061 -18.122965 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100378 logg= -0.003146 ETOT= -9.069594 -9.075643 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201314 logg= -0.007066 ETOT= -18.128398 -18.140883 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100429 logg= -0.003079 ETOT= -9.065792 -9.070707 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201029 logg= -0.006943 ETOT= -18.134869 -18.147238 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201307 logg= -0.006832 ETOT= -18.152915 -18.168927 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.200846 logg= -0.006738 ETOT= -18.140375 -18.152841 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100403 logg= -0.003099 ETOT= -9.067187 -9.072534 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100712 logg= -0.003442 ETOT= -9.077153 -9.085355 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200844 logg= -0.006739 ETOT= -18.140376 -18.152842 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200910 logg= -0.006712 ETOT= -18.134266 -18.145993 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100376 logg= -0.003146 ETOT= -9.069595 -9.075644 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100417 logg= -0.003224 ETOT= -9.072461 -9.079303 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100552 logg= -0.003335 ETOT= -9.075161 -9.082776 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Sum of eigenvalues= -10422.0918854590 eV TrLogG= -10429.7577297170 eV Ratio to renormalize= 0.999981147938 rho-rho_expected= 0.011311450492 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 10) Finished k-point number 11 1 with #bands= 468 15) Finished k-point number 16 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 39) Finished k-point number 40 1 with #bands= 476 14) Finished k-point number 15 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 32) Finished k-point number 33 1 with #bands= 476 36) Finished k-point number 37 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 33) Finished k-point number 34 1 with #bands= 476 46) Finished k-point number 47 1 with #bands= 476 41) Finished k-point number 42 1 with #bands= 480 8) Finished k-point number 9 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 37) Finished k-point number 38 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 38) Finished k-point number 39 1 with #bands= 470 7) Finished k-point number 8 1 with #bands= 470 5) Finished k-point number 6 1 with #bands= 472 24) Finished k-point number 25 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 43) Finished k-point number 44 1 with #bands= 472 2) Finished k-point number 3 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 45) Finished k-point number 46 1 with #bands= 472 42) Finished k-point number 43 1 with #bands= 472 3) Finished k-point number 4 1 with #bands= 466 40) Finished k-point number 41 1 with #bands= 480 30) Finished k-point number 31 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 18) Finished k-point number 19 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 23) Finished k-point number 24 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 17) Finished k-point number 18 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 22) Finished k-point number 23 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890889256936 0.747904162882691 0.757683913832896 0.757667753203061 0.757608993937358 0.757630744130061 0.747890884348186 0.747904162188833 0.757683902146248 0.757667758605238 0.757609005628801 0.757630732475194 0.747897629758250 0.747896042079008 0.757648978312020 0.757706225336271 0.757629057250766 0.757610257435699 0.747897626891105 0.747896048435896 0.757648976302429 0.757706225169704 0.757629054984064 0.757610259387358 0.747903778832198 0.747889320689438 0.757668389467530 0.757682195620274 0.757631673144956 0.757609498781711 0.747903793039946 0.747889307369194 0.757668402620999 0.757682192430069 0.757631680134512 0.757609491971878 0.747895872309924 0.747896524170602 0.757707190572519 0.757649143513714 0.757610758997803 0.757630769605761 0.747895873426707 0.747896522996540 0.757707195392436 0.757649140959208 0.757610753103611 0.757630774920803 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200983 logg= -0.007029 ETOT= -18.134207 -18.146269 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100575 logg= -0.003493 ETOT= -9.075138 -9.082921 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 7.100730 logg= -0.003601 ETOT= -9.077133 -9.085504 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201953 logg= -0.007681 ETOT= -18.121321 -18.135066 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.200897 logg= -0.007056 ETOT= -18.140330 -18.153130 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201001 logg= -0.006634 ETOT= -18.130233 -18.140887 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200907 logg= -0.006659 ETOT= -18.132997 -18.143823 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201400 logg= -0.007385 ETOT= -18.128333 -18.141155 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200864 logg= -0.006845 ETOT= -18.143750 -18.157448 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200821 logg= -0.006727 ETOT= -18.137942 -18.149945 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200868 logg= -0.006845 ETOT= -18.143747 -18.157446 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200954 logg= -0.007051 ETOT= -18.145644 -18.159956 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201082 logg= -0.007009 ETOT= -18.149131 -18.164385 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100577 logg= -0.003493 ETOT= -9.075136 -9.082920 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201135 logg= -0.007000 ETOT= -18.129006 -18.140860 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200826 logg= -0.006726 ETOT= -18.137940 -18.149943 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201247 logg= -0.006990 ETOT= -18.125839 -18.137585 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550392 logg= -0.001823 ETOT= -4.538981 -4.543273 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201770 logg= -0.007408 ETOT= -18.118950 -18.132457 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.203224 logg= -0.008229 ETOT= -18.108596 -18.125776 Density= 14.201084 logg= -0.007009 ETOT= -18.149129 -18.164384 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100468 logg= -0.003235 ETOT= -9.065755 -9.070841 Density= 14.202651 logg= -0.007909 ETOT= -18.111229 -18.127273 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201133 logg= -0.007000 ETOT= -18.129006 -18.140861 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201003 logg= -0.006635 ETOT= -18.130236 -18.140886 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.204494 logg= -0.008804 ETOT= -18.101543 -18.120977 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 7.100443 logg= -0.003382 ETOT= -9.072437 -9.079446 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.202416 logg= -0.007849 ETOT= -18.115013 -18.130248 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100412 logg= -0.003303 ETOT= -9.069564 -9.075781 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202416 logg= -0.007849 ETOT= -18.115013 -18.130248 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201652 logg= -0.007413 ETOT= -18.122462 -18.135563 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200912 logg= -0.006660 ETOT= -18.132997 -18.143822 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100409 logg= -0.003303 ETOT= -9.069565 -9.075783 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201769 logg= -0.007408 ETOT= -18.118950 -18.132457 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.202651 logg= -0.007909 ETOT= -18.111229 -18.127273 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203742 logg= -0.008450 ETOT= -18.104977 -18.123223 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.203742 logg= -0.008450 ETOT= -18.104977 -18.123223 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100470 logg= -0.003235 ETOT= -9.065758 -9.070841 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100438 logg= -0.003256 ETOT= -9.067154 -9.072671 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100441 logg= -0.003256 ETOT= -9.067155 -9.072670 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201399 logg= -0.007385 ETOT= -18.128334 -18.141155 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100446 logg= -0.003381 ETOT= -9.072435 -9.079445 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.201347 logg= -0.007149 ETOT= -18.152873 -18.169221 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.200981 logg= -0.007029 ETOT= -18.134209 -18.146271 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100730 logg= -0.003601 ETOT= -9.077133 -9.085503 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200898 logg= -0.007056 ETOT= -18.140329 -18.153129 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201652 logg= -0.007413 ETOT= -18.122463 -18.135564 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201246 logg= -0.006989 ETOT= -18.125839 -18.137585 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201093 logg= -0.007262 ETOT= -18.134818 -18.147521 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Sum of eigenvalues= -10422.0544122330 eV TrLogG= -10429.9141038289 eV Ratio to renormalize= 0.999975428285 rho-rho_expected= 0.014743391096 nargs= 1 argi=dmft2.def 34) Finished k-point number 35 1 with #bands= 476 39) Finished k-point number 40 1 with #bands= 476 25) Finished k-point number 26 1 with #bands= 472 27) Finished k-point number 28 1 with #bands= 472 23) Finished k-point number 24 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 22) Finished k-point number 23 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 8) Finished k-point number 9 1 with #bands= 468 10) Finished k-point number 11 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 30) Finished k-point number 31 1 with #bands= 470 46) Finished k-point number 47 1 with #bands= 476 44) Finished k-point number 45 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 43) Finished k-point number 44 1 with #bands= 472 12) Finished k-point number 13 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 13) Finished k-point number 14 1 with #bands= 472 4) Finished k-point number 5 1 with #bands= 468 42) Finished k-point number 43 1 with #bands= 472 15) Finished k-point number 16 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 7) Finished k-point number 8 1 with #bands= 470 32) Finished k-point number 33 1 with #bands= 476 40) Finished k-point number 41 1 with #bands= 480 36) Finished k-point number 37 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 47) Finished k-point number 48 1 with #bands= 480 9) Finished k-point number 10 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 37) Finished k-point number 38 1 with #bands= 470 31) Finished k-point number 32 1 with #bands= 472 1) Finished k-point number 2 1 with #bands= 470 24) Finished k-point number 25 1 with #bands= 470 6) Finished k-point number 7 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 0) Finished k-point number 1 1 with #bands= 468 14) Finished k-point number 15 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 20) Finished k-point number 21 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 2) Finished k-point number 3 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890660439263 0.747903356350702 0.757684661461151 0.757668110897600 0.757608966574303 0.757630841511249 0.747890642960836 0.747903358247238 0.757684650136112 0.757668124262048 0.757608953682143 0.757630854446865 0.747898981082794 0.747894494840629 0.757649011596537 0.757706404584552 0.757628986094236 0.757610398729926 0.747898977295326 0.747894492366418 0.757649018026425 0.757706407408097 0.757628988514034 0.757610396004946 0.747903352320133 0.747889037140766 0.757668544415559 0.757682843469542 0.757631357253350 0.757609872489345 0.747903365404533 0.747889022128930 0.757668555812512 0.757682844677358 0.757631360966160 0.757609868959578 0.747894441526863 0.747896074433803 0.757708524728036 0.757649914735848 0.757610329327067 0.757631253859586 0.747894432380794 0.747896080698395 0.757708524298426 0.757649917301745 0.757610327135989 0.757631255487474 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200777 logg= -0.007330 ETOT= -18.140343 -18.153470 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200849 logg= -0.007304 ETOT= -18.134231 -18.146618 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201262 logg= -0.007657 ETOT= -18.128355 -18.141503 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200989 logg= -0.007274 ETOT= -18.129036 -18.141216 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100346 logg= -0.003442 ETOT= -9.069577 -9.075957 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200863 logg= -0.006911 ETOT= -18.130263 -18.141240 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200772 logg= -0.006936 ETOT= -18.133025 -18.144175 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200837 logg= -0.007325 ETOT= -18.145657 -18.160295 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100514 logg= -0.003630 ETOT= -9.075146 -9.083092 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200738 logg= -0.007120 ETOT= -18.143770 -18.157793 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200690 logg= -0.007003 ETOT= -18.137967 -18.150294 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100516 logg= -0.003630 ETOT= -9.075145 -9.083091 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200851 logg= -0.007304 ETOT= -18.134229 -18.146617 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201095 logg= -0.007264 ETOT= -18.125873 -18.137944 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200963 logg= -0.007283 ETOT= -18.149147 -18.164726 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200965 logg= -0.007283 ETOT= -18.149145 -18.164724 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100381 logg= -0.003519 ETOT= -9.072446 -9.079619 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200991 logg= -0.007275 ETOT= -18.129035 -18.141215 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201096 logg= -0.007265 ETOT= -18.125873 -18.137943 Density= 14.202258 logg= -0.008117 ETOT= -18.115044 -18.130604 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202259 logg= -0.008118 ETOT= -18.115043 -18.130604 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200866 logg= -0.006912 ETOT= -18.130266 -18.141239 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202485 logg= -0.008177 ETOT= -18.111264 -18.127633 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201499 logg= -0.007685 ETOT= -18.122493 -18.135920 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203065 logg= -0.008495 ETOT= -18.108625 -18.126131 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550364 logg= -0.001891 ETOT= -4.538984 -4.543357 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.200776 logg= -0.006937 ETOT= -18.133024 -18.144174 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.203581 logg= -0.008715 ETOT= -18.105006 -18.123577 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.202485 logg= -0.008177 ETOT= -18.111264 -18.127633 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204339 logg= -0.009067 ETOT= -18.101568 -18.121326 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 7.100403 logg= -0.003374 ETOT= -9.065769 -9.071017 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201607 logg= -0.007680 ETOT= -18.118987 -18.132819 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.203581 logg= -0.008715 ETOT= -18.105006 -18.123577 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.201607 logg= -0.007680 ETOT= -18.118987 -18.132818 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100372 logg= -0.003395 ETOT= -9.067168 -9.072846 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100404 logg= -0.003374 ETOT= -9.065772 -9.071017 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201499 logg= -0.007685 ETOT= -18.122494 -18.135920 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200776 logg= -0.007330 ETOT= -18.140345 -18.153471 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100375 logg= -0.003395 ETOT= -9.067168 -9.072845 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201232 logg= -0.007422 ETOT= -18.152885 -18.169559 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=692 Density= 7.100672 logg= -0.003737 ETOT= -9.077139 -9.085672 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201807 logg= -0.007950 ETOT= -18.121347 -18.135416 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.200695 logg= -0.007003 ETOT= -18.137964 -18.150292 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100343 logg= -0.003442 ETOT= -9.069579 -9.075958 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200742 logg= -0.007120 ETOT= -18.143767 -18.157791 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100379 logg= -0.003520 ETOT= -9.072448 -9.079620 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=690 Density= 7.100673 logg= -0.003737 ETOT= -9.077139 -9.085672 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201262 logg= -0.007657 ETOT= -18.128356 -18.141503 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200968 logg= -0.007534 ETOT= -18.134833 -18.147863 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Sum of eigenvalues= -10422.0687797174 eV TrLogG= -10430.1152984945 eV Ratio to renormalize= 0.999985223579 rho-rho_expected= 0.008865983891 nargs= 1 argi=dmft2.def 33) Finished k-point number 34 1 with #bands= 476 37) Finished k-point number 38 1 with #bands= 470 14) Finished k-point number 15 1 with #bands= 468 39) Finished k-point number 40 1 with #bands= 476 34) Finished k-point number 35 1 with #bands= 476 38) Finished k-point number 39 1 with #bands= 470 4) Finished k-point number 5 1 with #bands= 468 40) Finished k-point number 41 1 with #bands= 480 32) Finished k-point number 33 1 with #bands= 476 13) Finished k-point number 14 1 with #bands= 472 36) Finished k-point number 37 1 with #bands= 470 35) Finished k-point number 36 1 with #bands= 472 25) Finished k-point number 26 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 2) Finished k-point number 3 1 with #bands= 468 43) Finished k-point number 44 1 with #bands= 472 42) Finished k-point number 43 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 8) Finished k-point number 9 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 15) Finished k-point number 16 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 10) Finished k-point number 11 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 1) Finished k-point number 2 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 0) Finished k-point number 1 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 27) Finished k-point number 28 1 with #bands= 472 31) Finished k-point number 32 1 with #bands= 472 46) Finished k-point number 47 1 with #bands= 476 24) Finished k-point number 25 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 45) Finished k-point number 46 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 26) Finished k-point number 27 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 18) Finished k-point number 19 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 20) Finished k-point number 21 1 with #bands= 472 17) Finished k-point number 18 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747889302923670 0.747903574320556 0.757685971696677 0.757668265099617 0.757609016050634 0.757630895104215 0.747889308672045 0.747903603974001 0.757685930660329 0.757668261137911 0.757609008684891 0.757630902513660 0.747894884890594 0.747894207356125 0.757651722013102 0.757708542632984 0.757628824510183 0.757610663472040 0.747894889148229 0.747894206276863 0.757651722791726 0.757708539920792 0.757628822902835 0.757610664751878 0.747904191511087 0.747889815654134 0.757667462106716 0.757682382069635 0.757631848246277 0.757609475578492 0.747904204618868 0.747889799300476 0.757667477668080 0.757682382522973 0.757631849699979 0.757609474325922 0.747894845800512 0.747896091959632 0.757708155029179 0.757650025962517 0.757611019947515 0.757630653898385 0.747894846653181 0.747896087972792 0.757708157424165 0.757650025657380 0.757611019337950 0.757630653909753 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200971 logg= -0.007367 ETOT= -18.129064 -18.141321 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200774 logg= -0.007423 ETOT= -18.140364 -18.153568 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100369 logg= -0.003565 ETOT= -9.072462 -9.079673 Density= 14.200967 logg= -0.007628 ETOT= -18.134854 -18.147960 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100333 logg= -0.003487 ETOT= -9.069592 -9.076011 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200835 logg= -0.007417 ETOT= -18.145677 -18.160392 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200839 logg= -0.007002 ETOT= -18.130290 -18.141347 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200751 logg= -0.007026 ETOT= -18.133051 -18.144280 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200675 logg= -0.007094 ETOT= -18.137991 -18.150397 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200726 logg= -0.007212 ETOT= -18.143794 -18.157895 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200841 logg= -0.007396 ETOT= -18.134253 -18.146718 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201483 logg= -0.007780 ETOT= -18.122524 -18.136026 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200730 logg= -0.007212 ETOT= -18.143791 -18.157893 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200951 logg= -0.007375 ETOT= -18.149171 -18.164827 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200949 logg= -0.007376 ETOT= -18.149173 -18.164828 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200756 logg= -0.007027 ETOT= -18.133051 -18.144279 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201484 logg= -0.007780 ETOT= -18.122523 -18.136026 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201589 logg= -0.007775 ETOT= -18.119018 -18.132927 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100506 logg= -0.003676 ETOT= -9.075160 -9.083144 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.203060 logg= -0.008592 ETOT= -18.108651 -18.126233 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550366 logg= -0.001914 ETOT= -4.538987 -4.543380 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201797 logg= -0.008046 ETOT= -18.121374 -18.135520 Density= 14.202474 logg= -0.008274 ETOT= -18.111293 -18.127738 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202473 logg= -0.008274 ETOT= -18.111294 -18.127738 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202248 logg= -0.008214 ETOT= -18.115072 -18.130709 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200841 logg= -0.007003 ETOT= -18.130293 -18.141346 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202248 logg= -0.008214 ETOT= -18.115072 -18.130709 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200973 logg= -0.007367 ETOT= -18.129063 -18.141320 Density= 7.100389 logg= -0.003419 ETOT= -9.065782 -9.071070 Density= 14.201074 logg= -0.007357 ETOT= -18.125903 -18.138051 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200839 logg= -0.007396 ETOT= -18.134255 -18.146719 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.203581 logg= -0.008812 ETOT= -18.105030 -18.123678 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.204346 logg= -0.009164 ETOT= -18.101587 -18.121422 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 7.100363 logg= -0.003440 ETOT= -9.067182 -9.072898 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100360 logg= -0.003440 ETOT= -9.067181 -9.072899 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203580 logg= -0.008812 ETOT= -18.105030 -18.123677 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100371 logg= -0.003565 ETOT= -9.072460 -9.079671 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100391 logg= -0.003419 ETOT= -9.065785 -9.071070 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201073 logg= -0.007357 ETOT= -18.125903 -18.138051 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201253 logg= -0.007751 ETOT= -18.128381 -18.141605 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 7.100667 logg= -0.003784 ETOT= -9.077152 -9.085723 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201217 logg= -0.007515 ETOT= -18.152913 -18.169663 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.201253 logg= -0.007751 ETOT= -18.128382 -18.141605 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201588 logg= -0.007775 ETOT= -18.119019 -18.132927 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200776 logg= -0.007422 ETOT= -18.140363 -18.153567 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200679 logg= -0.007094 ETOT= -18.137989 -18.150394 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100667 logg= -0.003784 ETOT= -9.077152 -9.085723 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100335 logg= -0.003487 ETOT= -9.069591 -9.076009 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100504 logg= -0.003677 ETOT= -9.075161 -9.083145 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Sum of eigenvalues= -10422.0838868031 eV TrLogG= -10430.1747302737 eV Ratio to renormalize= 0.999986142308 rho-rho_expected= 0.008314730704 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 36) Finished k-point number 37 1 with #bands= 470 8) Finished k-point number 9 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 35) Finished k-point number 36 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 5) Finished k-point number 6 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 4) Finished k-point number 5 1 with #bands= 468 45) Finished k-point number 46 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 18) Finished k-point number 19 1 with #bands= 470 48) Finished k-point number 49 1 with #bands= 480 24) Finished k-point number 25 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 39) Finished k-point number 40 1 with #bands= 476 15) Finished k-point number 16 1 with #bands= 468 34) Finished k-point number 35 1 with #bands= 476 9) Finished k-point number 10 1 with #bands= 468 37) Finished k-point number 38 1 with #bands= 470 14) Finished k-point number 15 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 43) Finished k-point number 44 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 12) Finished k-point number 13 1 with #bands= 470 33) Finished k-point number 34 1 with #bands= 476 11) Finished k-point number 12 1 with #bands= 468 44) Finished k-point number 45 1 with #bands= 472 40) Finished k-point number 41 1 with #bands= 480 17) Finished k-point number 18 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 1) Finished k-point number 2 1 with #bands= 470 0) Finished k-point number 1 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 20) Finished k-point number 21 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 31) Finished k-point number 32 1 with #bands= 472 25) Finished k-point number 26 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 28) Finished k-point number 29 1 with #bands= 468 19) Finished k-point number 20 1 with #bands= 470 47) Finished k-point number 48 1 with #bands= 480 46) Finished k-point number 47 1 with #bands= 476 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890177464624 0.747904195016001 0.757685736904936 0.757667102044077 0.757609058971334 0.757630917716561 0.747890170021069 0.747904188379922 0.757685730234973 0.757667113224133 0.757609057224601 0.757630919503032 0.747894897804919 0.747895385480824 0.757651394326508 0.757707758831699 0.757628709564440 0.757610844305389 0.747894900236744 0.747895400828269 0.757651388176996 0.757707746880145 0.757628699954134 0.757610853581137 0.747903797265057 0.747889958150440 0.757666884712186 0.757683275476110 0.757631473581253 0.757609911907020 0.747903817197040 0.747889946271962 0.757666896755846 0.757683267462468 0.757631475714603 0.757609909973437 0.747894739891917 0.747895933161387 0.757708293571232 0.757650264334877 0.757610965573653 0.757630769773856 0.747894733889467 0.747895933250559 0.757708300808505 0.757650262028373 0.757610967705210 0.757630767049048 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201903 logg= -0.006453 ETOT= -18.128692 -18.139908 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202511 logg= -0.006862 ETOT= -18.118655 -18.131520 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100804 logg= -0.003029 ETOT= -9.069401 -9.075300 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201697 logg= -0.006110 ETOT= -18.132669 -18.142858 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201624 logg= -0.006298 ETOT= -18.143437 -18.156500 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100915 logg= -0.003220 ETOT= -9.075004 -9.082468 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201793 logg= -0.006086 ETOT= -18.129904 -18.139920 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202014 logg= -0.006442 ETOT= -18.125526 -18.136632 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201603 logg= -0.006178 ETOT= -18.137618 -18.148984 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201750 logg= -0.006482 ETOT= -18.133894 -18.145318 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201850 logg= -0.006716 ETOT= -18.134510 -18.146576 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201686 logg= -0.006504 ETOT= -18.145348 -18.159024 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201778 logg= -0.006463 ETOT= -18.148856 -18.163472 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.202151 logg= -0.006839 ETOT= -18.128031 -18.140213 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100915 logg= -0.003220 ETOT= -9.075004 -9.082468 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.201778 logg= -0.006463 ETOT= -18.148855 -18.163472 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.203134 logg= -0.007305 ETOT= -18.114735 -18.129326 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202151 logg= -0.006839 ETOT= -18.128032 -18.140213 Density= 14.203918 logg= -0.007688 ETOT= -18.108335 -18.124870 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203134 logg= -0.007305 ETOT= -18.114735 -18.129326 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550437 logg= -0.001687 ETOT= -4.538986 -4.543115 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 7.100838 logg= -0.002981 ETOT= -9.066986 -9.072185 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203362 logg= -0.007366 ETOT= -18.110956 -18.126355 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202015 logg= -0.006442 ETOT= -18.125526 -18.136632 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100873 logg= -0.002961 ETOT= -9.065589 -9.070354 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201905 logg= -0.006453 ETOT= -18.128691 -18.139907 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202397 logg= -0.006868 ETOT= -18.122165 -18.134624 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201751 logg= -0.006482 ETOT= -18.133893 -18.145317 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202512 logg= -0.006862 ETOT= -18.118655 -18.131520 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.204422 logg= -0.007911 ETOT= -18.104725 -18.122326 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.201702 logg= -0.006111 ETOT= -18.132668 -18.142856 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202397 logg= -0.006868 ETOT= -18.122166 -18.134625 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.204422 logg= -0.007911 ETOT= -18.104725 -18.122326 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.203362 logg= -0.007366 ETOT= -18.110956 -18.126355 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100871 logg= -0.002960 ETOT= -9.065586 -9.070354 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201796 logg= -0.006087 ETOT= -18.129907 -18.139919 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202686 logg= -0.007136 ETOT= -18.121033 -18.134135 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.205155 logg= -0.008267 ETOT= -18.101304 -18.120092 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=690 Density= 7.100841 logg= -0.002982 ETOT= -9.066987 -9.072184 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201656 logg= -0.006509 ETOT= -18.140019 -18.152182 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100825 logg= -0.003108 ETOT= -9.072279 -9.078971 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=690 Density= 14.201883 logg= -0.006604 ETOT= -18.152688 -18.168396 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=692 Density= 7.100937 logg= -0.003329 ETOT= -9.077076 -9.085124 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201627 logg= -0.006297 ETOT= -18.143434 -18.156498 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100806 logg= -0.003029 ETOT= -9.069399 -9.075299 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201608 logg= -0.006178 ETOT= -18.137615 -18.148981 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201655 logg= -0.006510 ETOT= -18.140020 -18.152183 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100827 logg= -0.003108 ETOT= -9.072278 -9.078970 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100940 logg= -0.003329 ETOT= -9.077074 -9.085122 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Sum of eigenvalues= -10421.8869190937 eV TrLogG= -10429.3787797043 eV Ratio to renormalize= 0.999923978369 rho-rho_expected= 0.045616446472 nargs= 1 argi=dmft2.def 33) Finished k-point number 34 1 with #bands= 476 10) Finished k-point number 11 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 43) Finished k-point number 44 1 with #bands= 472 48) Finished k-point number 49 1 with #bands= 480 42) Finished k-point number 43 1 with #bands= 472 9) Finished k-point number 10 1 with #bands= 468 36) Finished k-point number 37 1 with #bands= 470 5) Finished k-point number 6 1 with #bands= 472 37) Finished k-point number 38 1 with #bands= 470 41) Finished k-point number 42 1 with #bands= 480 14) Finished k-point number 15 1 with #bands= 468 35) Finished k-point number 36 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 8) Finished k-point number 9 1 with #bands= 468 29) Finished k-point number 30 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 27) Finished k-point number 28 1 with #bands= 472 24) Finished k-point number 25 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 4) Finished k-point number 5 1 with #bands= 468 13) Finished k-point number 14 1 with #bands= 472 16) Finished k-point number 17 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 15) Finished k-point number 16 1 with #bands= 468 22) Finished k-point number 23 1 with #bands= 468 12) Finished k-point number 13 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 3) Finished k-point number 4 1 with #bands= 466 40) Finished k-point number 41 1 with #bands= 480 18) Finished k-point number 19 1 with #bands= 470 34) Finished k-point number 35 1 with #bands= 476 31) Finished k-point number 32 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 0) Finished k-point number 1 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 1) Finished k-point number 2 1 with #bands= 470 19) Finished k-point number 20 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 23) Finished k-point number 24 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 21) Finished k-point number 22 1 with #bands= 466 47) Finished k-point number 48 1 with #bands= 480 30) Finished k-point number 31 1 with #bands= 470 44) Finished k-point number 45 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890745516121 0.747903550159380 0.757685607217047 0.757667291745370 0.757609334093421 0.757630629893399 0.747890744544126 0.747903552586796 0.757685593305454 0.757667291239186 0.757609342309215 0.757630621716038 0.747895709223555 0.747894734707197 0.757650844983024 0.757708187625767 0.757629176747067 0.757610363630704 0.747895712655029 0.747894738831845 0.757650836149473 0.757708185971981 0.757629173496015 0.757610366541045 0.747903087727433 0.747889702247600 0.757667536619463 0.757683466625078 0.757631298204342 0.757610071953681 0.747903051934653 0.747889724740445 0.757667581558652 0.757683446053258 0.757631304084476 0.757610066260715 0.747894711748687 0.747894701074586 0.757709554731018 0.757650100258872 0.757610748285741 0.757630970496003 0.747894708667023 0.747894679577413 0.757709535796135 0.757650145179347 0.757610717477643 0.757631000690611 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200917 logg= -0.007408 ETOT= -18.125965 -18.138187 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200681 logg= -0.007446 ETOT= -18.134316 -18.146855 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100266 logg= -0.003512 ETOT= -9.069616 -9.076072 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100302 logg= -0.003590 ETOT= -9.072485 -9.079733 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.200693 logg= -0.007052 ETOT= -18.130346 -18.141477 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200611 logg= -0.007472 ETOT= -18.140429 -18.153707 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200578 logg= -0.007261 ETOT= -18.143849 -18.158025 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201320 logg= -0.007831 ETOT= -18.122590 -18.136167 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200605 logg= -0.007076 ETOT= -18.133107 -18.144410 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200679 logg= -0.007446 ETOT= -18.134318 -18.146857 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201628 logg= -0.008097 ETOT= -18.121445 -18.135664 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.200527 logg= -0.007144 ETOT= -18.138047 -18.150527 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200799 logg= -0.007424 ETOT= -18.149228 -18.164959 Density= 14.201086 logg= -0.007802 ETOT= -18.128450 -18.141747 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200674 logg= -0.007466 ETOT= -18.145739 -18.160529 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.202883 logg= -0.008646 ETOT= -18.108727 -18.126383 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200801 logg= -0.007424 ETOT= -18.149226 -18.164958 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100434 logg= -0.003701 ETOT= -9.075186 -9.083207 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200918 logg= -0.007408 ETOT= -18.125965 -18.138187 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550312 logg= -0.001926 ETOT= -4.539011 -4.543422 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.202078 logg= -0.008266 ETOT= -18.115143 -18.130854 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100433 logg= -0.003701 ETOT= -9.075187 -9.083208 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=688 Density= 14.200816 logg= -0.007418 ETOT= -18.129125 -18.141456 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202078 logg= -0.008266 ETOT= -18.115143 -18.130854 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201428 logg= -0.007827 ETOT= -18.119084 -18.133066 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.203399 logg= -0.008866 ETOT= -18.105109 -18.123831 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.202304 logg= -0.008326 ETOT= -18.111364 -18.127883 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200695 logg= -0.007053 ETOT= -18.130349 -18.141476 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201321 logg= -0.007831 ETOT= -18.122589 -18.136166 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202305 logg= -0.008327 ETOT= -18.111364 -18.127883 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100320 logg= -0.003443 ETOT= -9.065808 -9.071133 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100322 logg= -0.003444 ETOT= -9.065811 -9.071133 Density= 14.203399 logg= -0.008867 ETOT= -18.105109 -18.123831 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=692 Density= 14.200609 logg= -0.007077 ETOT= -18.133107 -18.144409 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.204154 logg= -0.009219 ETOT= -18.101673 -18.121582 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 7.100291 logg= -0.003465 ETOT= -9.067206 -9.072962 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200532 logg= -0.007144 ETOT= -18.138044 -18.150525 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100293 logg= -0.003465 ETOT= -9.067207 -9.072961 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200799 logg= -0.007678 ETOT= -18.134922 -18.148103 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.201055 logg= -0.007564 ETOT= -18.152975 -18.169800 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.200815 logg= -0.007418 ETOT= -18.129126 -18.141457 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100579 logg= -0.003808 ETOT= -9.077187 -9.085795 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100263 logg= -0.003512 ETOT= -9.069617 -9.076073 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200581 logg= -0.007261 ETOT= -18.143846 -18.158023 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201087 logg= -0.007802 ETOT= -18.128449 -18.141747 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200612 logg= -0.007472 ETOT= -18.140427 -18.153706 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201427 logg= -0.007826 ETOT= -18.119084 -18.133066 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 7.100579 logg= -0.003808 ETOT= -9.077187 -9.085795 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100300 logg= -0.003590 ETOT= -9.072487 -9.079735 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Sum of eigenvalues= -10422.1201925908 eV TrLogG= -10430.2538935661 eV Ratio to renormalize= 0.999997350826 rho-rho_expected= 0.001589508374 nargs= 1 argi=dmft2.def 36) Finished k-point number 37 1 with #bands= 470 39) Finished k-point number 40 1 with #bands= 476 10) Finished k-point number 11 1 with #bands= 468 48) Finished k-point number 49 1 with #bands= 480 13) Finished k-point number 14 1 with #bands= 472 42) Finished k-point number 43 1 with #bands= 472 20) Finished k-point number 21 1 with #bands= 472 3) Finished k-point number 4 1 with #bands= 466 12) Finished k-point number 13 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 6) Finished k-point number 7 1 with #bands= 472 38) Finished k-point number 39 1 with #bands= 470 37) Finished k-point number 38 1 with #bands= 470 35) Finished k-point number 36 1 with #bands= 472 41) Finished k-point number 42 1 with #bands= 480 33) Finished k-point number 34 1 with #bands= 476 46) Finished k-point number 47 1 with #bands= 476 43) Finished k-point number 44 1 with #bands= 472 34) Finished k-point number 35 1 with #bands= 476 32) Finished k-point number 33 1 with #bands= 476 14) Finished k-point number 15 1 with #bands= 468 15) Finished k-point number 16 1 with #bands= 468 9) Finished k-point number 10 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 11) Finished k-point number 12 1 with #bands= 468 24) Finished k-point number 25 1 with #bands= 470 25) Finished k-point number 26 1 with #bands= 472 5) Finished k-point number 6 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 4) Finished k-point number 5 1 with #bands= 468 0) Finished k-point number 1 1 with #bands= 468 31) Finished k-point number 32 1 with #bands= 472 30) Finished k-point number 31 1 with #bands= 470 28) Finished k-point number 29 1 with #bands= 468 23) Finished k-point number 24 1 with #bands= 470 17) Finished k-point number 18 1 with #bands= 470 1) Finished k-point number 2 1 with #bands= 470 26) Finished k-point number 27 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 44) Finished k-point number 45 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 29) Finished k-point number 30 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 21) Finished k-point number 22 1 with #bands= 466 19) Finished k-point number 20 1 with #bands= 470 18) Finished k-point number 19 1 with #bands= 470 16) Finished k-point number 17 1 with #bands= 468 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747889792785912 0.747904158671802 0.757685826689281 0.757667300977194 0.757609254292684 0.757630683767685 0.747889785982930 0.747904159792538 0.757685814570625 0.757667307656498 0.757609249170108 0.757630688936813 0.747896243367647 0.747894722197313 0.757650832424701 0.757707521940904 0.757629013795282 0.757610500533900 0.747896239904388 0.747894718938233 0.757650839760812 0.757707522552194 0.757629005449211 0.757610508538286 0.747903565651622 0.747889407058484 0.757667823113361 0.757683125496708 0.757631904899550 0.757609439438382 0.747903574077692 0.747889425975999 0.757667822360367 0.757683109687605 0.757631911246790 0.757609433269897 0.747895219840806 0.747895276962267 0.757708857578365 0.757649792622207 0.757611226940436 0.757630466508176 0.747895214495380 0.747895268879091 0.757708870605296 0.757649794275144 0.757611225865817 0.757630466989274 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 7.100278 logg= -0.003198 ETOT= -9.069633 -9.075751 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200704 logg= -0.006815 ETOT= -18.134347 -18.146211 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200627 logg= -0.006447 ETOT= -18.133139 -18.143768 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200938 logg= -0.006775 ETOT= -18.125995 -18.137542 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200557 logg= -0.006514 ETOT= -18.138075 -18.149880 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200605 logg= -0.006632 ETOT= -18.143880 -18.157380 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200553 logg= -0.006514 ETOT= -18.138078 -18.149883 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201333 logg= -0.007197 ETOT= -18.122624 -18.135525 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200713 logg= -0.006422 ETOT= -18.130380 -18.140835 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200703 logg= -0.006836 ETOT= -18.145768 -18.159882 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201102 logg= -0.007169 ETOT= -18.128483 -18.141104 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201440 logg= -0.007192 ETOT= -18.119119 -18.132424 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200829 logg= -0.006795 ETOT= -18.149257 -18.164313 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 7.100275 logg= -0.003198 ETOT= -9.069634 -9.075752 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200640 logg= -0.006841 ETOT= -18.140456 -18.153059 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100447 logg= -0.003386 ETOT= -9.075202 -9.082885 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.200827 logg= -0.006795 ETOT= -18.149259 -18.164314 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201634 logg= -0.007463 ETOT= -18.121484 -18.135026 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 3.550330 logg= -0.001769 ETOT= -4.539013 -4.543254 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201441 logg= -0.007192 ETOT= -18.119118 -18.132424 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201334 logg= -0.007197 ETOT= -18.122624 -18.135524 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100328 logg= -0.003129 ETOT= -9.065827 -9.070814 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200839 logg= -0.006786 ETOT= -18.129155 -18.140811 Density= 7.100315 logg= -0.003275 ETOT= -9.072501 -9.079412 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 14.204120 logg= -0.008583 ETOT= -18.101739 -18.120963 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=692 Density= 14.202869 logg= -0.008010 ETOT= -18.108780 -18.125754 Density= 14.202078 logg= -0.007631 ETOT= -18.115187 -18.130218 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.202078 logg= -0.007631 ETOT= -18.115187 -18.130218 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203377 logg= -0.008231 ETOT= -18.105167 -18.123206 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200631 logg= -0.006447 ETOT= -18.133139 -18.143766 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200715 logg= -0.006423 ETOT= -18.130383 -18.140835 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.203377 logg= -0.008231 ETOT= -18.105167 -18.123206 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200939 logg= -0.006775 ETOT= -18.125995 -18.137542 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=698 Density= 14.200609 logg= -0.006631 ETOT= -18.143877 -18.157378 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202302 logg= -0.007691 ETOT= -18.111410 -18.127249 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100303 logg= -0.003151 ETOT= -9.067225 -9.072641 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202301 logg= -0.007691 ETOT= -18.111410 -18.127249 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100300 logg= -0.003150 ETOT= -9.067225 -9.072642 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100330 logg= -0.003130 ETOT= -9.065830 -9.070814 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200638 logg= -0.006842 ETOT= -18.140457 -18.153060 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100601 logg= -0.003493 ETOT= -9.077198 -9.085468 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.200706 logg= -0.006815 ETOT= -18.134346 -18.146210 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201090 logg= -0.006935 ETOT= -18.153002 -18.169151 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 14.200837 logg= -0.006786 ETOT= -18.129156 -18.140812 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100445 logg= -0.003386 ETOT= -9.075203 -9.082886 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 7.100312 logg= -0.003275 ETOT= -9.072503 -9.079413 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 7.100601 logg= -0.003493 ETOT= -9.077198 -9.085468 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 14.201103 logg= -0.007169 ETOT= -18.128482 -18.141104 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200820 logg= -0.007046 ETOT= -18.134952 -18.147458 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Sum of eigenvalues= -10422.1404839167 eV TrLogG= -10429.8850969958 eV Ratio to renormalize= 0.999996210578 rho-rho_expected= 0.002273661776 nargs= 1 argi=dmft2.def 33) Finished k-point number 34 1 with #bands= 476 18) Finished k-point number 19 1 with #bands= 470 42) Finished k-point number 43 1 with #bands= 472 35) Finished k-point number 36 1 with #bands= 472 34) Finished k-point number 35 1 with #bands= 476 48) Finished k-point number 49 1 with #bands= 480 41) Finished k-point number 42 1 with #bands= 480 37) Finished k-point number 38 1 with #bands= 470 2) Finished k-point number 3 1 with #bands= 468 8) Finished k-point number 9 1 with #bands= 468 46) Finished k-point number 47 1 with #bands= 476 12) Finished k-point number 13 1 with #bands= 470 14) Finished k-point number 15 1 with #bands= 468 20) Finished k-point number 21 1 with #bands= 472 45) Finished k-point number 46 1 with #bands= 472 36) Finished k-point number 37 1 with #bands= 470 24) Finished k-point number 25 1 with #bands= 470 11) Finished k-point number 12 1 with #bands= 468 32) Finished k-point number 33 1 with #bands= 476 4) Finished k-point number 5 1 with #bands= 468 28) Finished k-point number 29 1 with #bands= 468 31) Finished k-point number 32 1 with #bands= 472 39) Finished k-point number 40 1 with #bands= 476 5) Finished k-point number 6 1 with #bands= 472 7) Finished k-point number 8 1 with #bands= 470 38) Finished k-point number 39 1 with #bands= 470 40) Finished k-point number 41 1 with #bands= 480 9) Finished k-point number 10 1 with #bands= 468 0) Finished k-point number 1 1 with #bands= 468 3) Finished k-point number 4 1 with #bands= 466 15) Finished k-point number 16 1 with #bands= 468 25) Finished k-point number 26 1 with #bands= 472 26) Finished k-point number 27 1 with #bands= 470 13) Finished k-point number 14 1 with #bands= 472 43) Finished k-point number 44 1 with #bands= 472 47) Finished k-point number 48 1 with #bands= 480 19) Finished k-point number 20 1 with #bands= 470 22) Finished k-point number 23 1 with #bands= 468 1) Finished k-point number 2 1 with #bands= 470 10) Finished k-point number 11 1 with #bands= 468 16) Finished k-point number 17 1 with #bands= 468 17) Finished k-point number 18 1 with #bands= 470 30) Finished k-point number 31 1 with #bands= 470 6) Finished k-point number 7 1 with #bands= 472 23) Finished k-point number 24 1 with #bands= 470 29) Finished k-point number 30 1 with #bands= 468 27) Finished k-point number 28 1 with #bands= 472 21) Finished k-point number 22 1 with #bands= 466 44) Finished k-point number 45 1 with #bands= 472 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.747890775779324 0.747904049756434 0.757685166824966 0.757666876679256 0.757609580159831 0.757630269027725 0.747890754393617 0.747904048363389 0.757685182456290 0.757666871742537 0.757609581984967 0.757630267243360 0.747897560631939 0.747894313736836 0.757650812326523 0.757706438607076 0.757629590027465 0.757609835192045 0.747897579748563 0.747894331451749 0.757650772722835 0.757706441838800 0.757629591221218 0.757609833650058 0.747903683434524 0.747889820144977 0.757667232067205 0.757683014718539 0.757631289311442 0.757609979788932 0.747903688137338 0.747889832635326 0.757667248558706 0.757682992310499 0.757631291414592 0.757609977875815 0.747894573311954 0.747896385951771 0.757707792464265 0.757650224505892 0.757610664384921 0.757630955597186 0.747894568120620 0.747896383490507 0.757707787909674 0.757650237968278 0.757610660570329 0.757630958822539 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201614 logg= -0.007235 ETOT= -18.122504 -18.135409 22) Finished k-point 23 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201717 logg= -0.007230 ETOT= -18.119001 -18.132310 21) Finished k-point 22 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.201387 logg= -0.007206 ETOT= -18.128359 -18.140986 17) Finished k-point 18 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.200916 logg= -0.006878 ETOT= -18.140336 -18.152945 31) Finished k-point 32 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201104 logg= -0.007083 ETOT= -18.134829 -18.147340 24) Finished k-point 25 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100586 logg= -0.003405 ETOT= -9.075141 -9.082828 46) Finished k-point 47 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=690 Density= 14.200973 logg= -0.006456 ETOT= -18.130266 -18.140727 35) Finished k-point 36 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200819 logg= -0.006549 ETOT= -18.137961 -18.149772 37) Finished k-point 38 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200889 logg= -0.006481 ETOT= -18.133025 -18.143658 36) Finished k-point 37 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100587 logg= -0.003405 ETOT= -9.075140 -9.082827 34) Finished k-point 35 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=844 DM_nemaxx=692 Density= 14.201106 logg= -0.006822 ETOT= -18.129040 -18.140701 29) Finished k-point 30 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200984 logg= -0.006873 ETOT= -18.145644 -18.159766 32) Finished k-point 33 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201386 logg= -0.007206 ETOT= -18.128359 -18.140987 Density= 7.100448 logg= -0.003293 ETOT= -9.072444 -9.079357 23) Finished k-point 24 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=694 Density= 14.201109 logg= -0.006832 ETOT= -18.149133 -18.164196 33) Finished k-point 34 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.201108 logg= -0.006832 ETOT= -18.149135 -18.164197 39) Finished k-point 40 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=844 DM_nemaxx=696 Density= 14.200878 logg= -0.006668 ETOT= -18.143760 -18.157267 38) Finished k-point 39 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.201108 logg= -0.006822 ETOT= -18.129039 -18.140700 11) Finished k-point 12 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201614 logg= -0.007235 ETOT= -18.122503 -18.135409 10) Finished k-point 11 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 7.100457 logg= -0.003146 ETOT= -9.065770 -9.070760 42) Finished k-point 43 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 3.550406 logg= -0.001778 ETOT= -4.538978 -4.543222 48) Finished k-point 49 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=680 Density= 14.201717 logg= -0.007230 ETOT= -18.119000 -18.132310 3) Finished k-point 4 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=834 DM_nemaxx=696 Density= 14.200976 logg= -0.006457 ETOT= -18.130270 -18.140726 5) Finished k-point 6 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.202372 logg= -0.007671 ETOT= -18.115059 -18.130097 Density= 14.201206 logg= -0.006811 ETOT= -18.125881 -18.137432 9) Finished k-point 10 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 4) Finished k-point 5 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200894 logg= -0.006482 ETOT= -18.133025 -18.143657 12) Finished k-point 13 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.202595 logg= -0.007731 ETOT= -18.111283 -18.127128 14) Finished k-point 15 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203693 logg= -0.008272 ETOT= -18.105029 -18.123075 7) Finished k-point 8 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 14.204450 logg= -0.008626 ETOT= -18.101592 -18.120826 0) Finished k-point 1 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=836 DM_nemaxx=688 Density= 14.202372 logg= -0.007671 ETOT= -18.115059 -18.130097 Density= 14.202595 logg= -0.007731 ETOT= -18.111283 -18.127128 15) Finished k-point 16 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 2) Finished k-point 3 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.201926 logg= -0.007502 ETOT= -18.121357 -18.134905 16) Finished k-point 17 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=694 Density= 14.201205 logg= -0.006811 ETOT= -18.125881 -18.137432 28) Finished k-point 29 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.200977 logg= -0.006851 ETOT= -18.134229 -18.146098 30) Finished k-point 31 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.203177 logg= -0.008051 ETOT= -18.108646 -18.125627 8) Finished k-point 9 1 with nemin= 1 nemax=888 DM_nemin=369 DM_nemax=836 DM_nemaxx=696 Density= 14.203693 logg= -0.008272 ETOT= -18.105028 -18.123075 1) Finished k-point 2 1 with nemin= 1 nemax=890 DM_nemin=369 DM_nemax=838 DM_nemaxx=694 Density= 7.100459 logg= -0.003147 ETOT= -9.065773 -9.070760 6) Finished k-point 7 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100430 logg= -0.003167 ETOT= -9.067167 -9.072588 43) Finished k-point 44 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 7.100433 logg= -0.003168 ETOT= -9.067168 -9.072587 13) Finished k-point 14 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.201380 logg= -0.006972 ETOT= -18.152873 -18.169030 40) Finished k-point 41 1 with nemin= 1 nemax=894 DM_nemin=369 DM_nemax=848 DM_nemaxx=694 Density= 7.100407 logg= -0.003215 ETOT= -9.069576 -9.075697 44) Finished k-point 45 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200979 logg= -0.006851 ETOT= -18.134227 -18.146096 18) Finished k-point 19 1 with nemin= 1 nemax=884 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 14.200881 logg= -0.006668 ETOT= -18.143757 -18.157264 26) Finished k-point 27 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Density= 7.100749 logg= -0.003512 ETOT= -9.077132 -9.085406 47) Finished k-point 48 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100749 logg= -0.003512 ETOT= -9.077132 -9.085406 41) Finished k-point 42 1 with nemin= 1 nemax=896 DM_nemin=369 DM_nemax=848 DM_nemaxx=688 Density= 7.100450 logg= -0.003293 ETOT= -9.072442 -9.079356 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=692 Density= 7.100410 logg= -0.003215 ETOT= -9.069574 -9.075695 20) Finished k-point 21 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200918 logg= -0.006878 ETOT= -18.140335 -18.152944 25) Finished k-point 26 1 with nemin= 1 nemax=886 DM_nemin=369 DM_nemax=840 DM_nemaxx=696 Density= 14.200823 logg= -0.006549 ETOT= -18.137959 -18.149769 19) Finished k-point 20 1 with nemin= 1 nemax=882 DM_nemin=369 DM_nemax=838 DM_nemaxx=696 Sum of eigenvalues= -10422.0702577464 eV TrLogG= -10429.8182764268 eV Ratio to renormalize= 0.999976484366 rho-rho_expected= 0.014109712206