nargs= 1 argi=dmft2.def 37) Finished k-point number 38 1 with #bands= 454 36) Finished k-point number 37 1 with #bands= 454 30) Finished k-point number 31 1 with #bands= 452 48) Finished k-point number 49 1 with #bands= 464 35) Finished k-point number 36 1 with #bands= 454 31) Finished k-point number 32 1 with #bands= 452 34) Finished k-point number 35 1 with #bands= 456 26) Finished k-point number 27 1 with #bands= 454 27) Finished k-point number 28 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 3) Finished k-point number 4 1 with #bands= 456 22) Finished k-point number 23 1 with #bands= 458 23) Finished k-point number 24 1 with #bands= 458 33) Finished k-point number 34 1 with #bands= 456 28) Finished k-point number 29 1 with #bands= 454 47) Finished k-point number 48 1 with #bands= 460 32) Finished k-point number 33 1 with #bands= 452 39) Finished k-point number 40 1 with #bands= 456 29) Finished k-point number 30 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 0) Finished k-point number 1 1 with #bands= 458 4) Finished k-point number 5 1 with #bands= 454 24) Finished k-point number 25 1 with #bands= 454 5) Finished k-point number 6 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 12) Finished k-point number 13 1 with #bands= 454 10) Finished k-point number 11 1 with #bands= 458 46) Finished k-point number 47 1 with #bands= 456 45) Finished k-point number 46 1 with #bands= 452 44) Finished k-point number 45 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 13) Finished k-point number 14 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 18) Finished k-point number 19 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 21) Finished k-point number 22 1 with #bands= 456 8) Finished k-point number 9 1 with #bands= 456 43) Finished k-point number 44 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 40) Finished k-point number 41 1 with #bands= 460 20) Finished k-point number 21 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 41) Finished k-point number 42 1 with #bands= 460 6) Finished k-point number 7 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745132317528432 0.745193181062794 0.760969244798723 0.760986060100734 0.760543753711322 0.760551845666518 2.404164307955529E-006 2.404164307955529E-006 -4.129464476073223E-004 0.745132314309660 0.745193184564960 0.760969246254891 0.760986064127954 0.760543753413566 0.760551846006771 -2.386178543880504E-006 -2.386178543880504E-006 -4.129340805289982E-004 0.745170027898692 0.745157688245373 0.760946286943536 0.761006286786502 0.760560906282559 0.760535151585813 3.775649980955346E-006 3.775649980955346E-006 -4.350156979984569E-004 0.745170051079194 0.745157617154472 0.760946300277084 0.761006333521817 0.760560904246510 0.760535153659595 -3.738568241854353E-006 -3.738568241854353E-006 -4.350352646480860E-004 0.745192610877932 0.745136132719734 0.760986775546203 0.760967592775735 0.760552377277550 0.760544939445416 2.707544172822801E-006 2.707544172822801E-006 -4.278128348521936E-004 0.745192606918743 0.745136114466720 0.760986788229260 0.760967602491502 0.760552371423833 0.760544945293570 -2.683525045922711E-006 -2.683525045922711E-006 -4.278156393442031E-004 0.745154022865914 0.745167190136857 0.761007550177053 0.760952714667743 0.760536056159767 0.760560671971964 1.833419149591198E-006 1.833419149591198E-006 -4.177411760264698E-004 0.745154017571993 0.745167186666679 0.761007559176650 0.760952716824143 0.760536060604503 0.760560667415967 -1.818907400175142E-006 -1.818907400175142E-006 -4.177328009904241E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.204301 logg= -0.008364 ETOT= -17.752348 -17.768546 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.201209 logg= -0.006519 ETOT= -17.787013 -17.797664 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.202274 logg= -0.007289 ETOT= -17.768046 -17.780161 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201673 logg= -0.006860 ETOT= -17.775628 -17.787029 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.202033 logg= -0.007296 ETOT= -17.771386 -17.783696 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201113 logg= -0.006458 ETOT= -17.780352 -17.790706 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 3.550786 logg= -0.001761 ETOT= -4.450324 -4.454017 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.201675 logg= -0.006860 ETOT= -17.775628 -17.787028 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.202040 logg= -0.006753 ETOT= -17.796113 -17.808729 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.101137 logg= -0.003358 ETOT= -8.898519 -8.905021 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.201300 logg= -0.007118 ETOT= -17.783477 -17.795893 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=692 Density= 14.201217 logg= -0.006519 ETOT= -17.787010 -17.797659 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201545 logg= -0.006817 ETOT= -17.793278 -17.804966 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100851 logg= -0.003251 ETOT= -8.896375 -8.902034 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 7.101134 logg= -0.003358 ETOT= -8.898521 -8.905023 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.202275 logg= -0.007289 ETOT= -17.768047 -17.780161 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100501 logg= -0.003147 ETOT= -8.892097 -8.896482 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.205307 logg= -0.008786 ETOT= -17.748426 -17.765963 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=684 Density= 7.100493 logg= -0.003146 ETOT= -8.892098 -8.896486 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201651 logg= -0.007263 ETOT= -17.777169 -17.789678 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.201125 logg= -0.006474 ETOT= -17.782832 -17.793306 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.202253 logg= -0.007568 ETOT= -17.769923 -17.782861 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.201123 logg= -0.006460 ETOT= -17.780354 -17.790702 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201495 logg= -0.006613 ETOT= -17.791789 -17.802769 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.203091 logg= -0.007783 ETOT= -17.759490 -17.773292 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202036 logg= -0.006753 ETOT= -17.796115 -17.808731 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.202032 logg= -0.007296 ETOT= -17.771386 -17.783697 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201502 logg= -0.006613 ETOT= -17.791785 -17.802765 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100409 logg= -0.003133 ETOT= -8.890943 -8.895561 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201229 logg= -0.006864 ETOT= -17.788736 -17.800612 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.201652 logg= -0.007263 ETOT= -17.777169 -17.789678 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.201485 logg= -0.006862 ETOT= -17.778446 -17.789990 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.201259 logg= -0.006871 ETOT= -17.783258 -17.795027 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.201487 logg= -0.006863 ETOT= -17.778445 -17.789988 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=695 Density= 14.201256 logg= -0.006870 ETOT= -17.783259 -17.795029 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 7.100399 logg= -0.003131 ETOT= -8.890942 -8.895566 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203686 logg= -0.008127 ETOT= -17.756428 -17.771468 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.204301 logg= -0.008363 ETOT= -17.752348 -17.768545 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.202797 logg= -0.007732 ETOT= -17.763391 -17.776532 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201134 logg= -0.006475 ETOT= -17.782831 -17.793302 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201231 logg= -0.006864 ETOT= -17.788734 -17.800610 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 7.101436 logg= -0.003470 ETOT= -8.900091 -8.907233 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 7.101435 logg= -0.003470 ETOT= -8.900092 -8.907233 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.203090 logg= -0.007783 ETOT= -17.759490 -17.773292 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100847 logg= -0.003251 ETOT= -8.896378 -8.902036 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.202797 logg= -0.007732 ETOT= -17.763391 -17.776532 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100646 logg= -0.003182 ETOT= -8.894085 -8.898864 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100640 logg= -0.003182 ETOT= -8.894087 -8.898867 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202621 logg= -0.006890 ETOT= -17.799090 -17.812937 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=696 Sum of eigenvalues= -10220.0129927382 eV TrLogG= -10227.0444323557 eV Ratio to renormalize= 0.999941656630 rho-rho_expected= 0.035008064439 nargs= 1 argi=dmft2.def 36) Finished k-point number 37 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 33) Finished k-point number 34 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 27) Finished k-point number 28 1 with #bands= 452 34) Finished k-point number 35 1 with #bands= 456 47) Finished k-point number 48 1 with #bands= 460 31) Finished k-point number 32 1 with #bands= 452 16) Finished k-point number 17 1 with #bands= 458 15) Finished k-point number 16 1 with #bands= 458 17) Finished k-point number 18 1 with #bands= 458 18) Finished k-point number 19 1 with #bands= 452 30) Finished k-point number 31 1 with #bands= 452 3) Finished k-point number 4 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 19) Finished k-point number 20 1 with #bands= 454 22) Finished k-point number 23 1 with #bands= 458 23) Finished k-point number 24 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 35) Finished k-point number 36 1 with #bands= 454 32) Finished k-point number 33 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 21) Finished k-point number 22 1 with #bands= 456 37) Finished k-point number 38 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 26) Finished k-point number 27 1 with #bands= 454 44) Finished k-point number 45 1 with #bands= 452 39) Finished k-point number 40 1 with #bands= 456 14) Finished k-point number 15 1 with #bands= 458 24) Finished k-point number 25 1 with #bands= 454 20) Finished k-point number 21 1 with #bands= 452 28) Finished k-point number 29 1 with #bands= 454 0) Finished k-point number 1 1 with #bands= 458 43) Finished k-point number 44 1 with #bands= 452 42) Finished k-point number 43 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 13) Finished k-point number 14 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 8) Finished k-point number 9 1 with #bands= 456 11) Finished k-point number 12 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 12) Finished k-point number 13 1 with #bands= 454 7) Finished k-point number 8 1 with #bands= 456 40) Finished k-point number 41 1 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745123480960270 0.745185716663451 0.760964263321608 0.760978909864531 0.760539228906495 0.760542564977291 2.708142056201044E-006 2.708142056201044E-006 -4.117262778237919E-004 0.745123471523739 0.745185731271959 0.760964246375296 0.760978930725207 0.760539232589214 0.760542561354834 -2.694556650387145E-006 -2.694556650387145E-006 -4.117097527494525E-004 0.745161102343499 0.745148154147258 0.760941766788764 0.761000958984988 0.760553506575398 0.760528754689151 5.650274064777232E-006 5.650274064777232E-006 -4.334284766770144E-004 0.745161103353530 0.745148156205427 0.760941764187098 0.761000956665250 0.760553501929201 0.760528759379861 -5.643235405598374E-006 -5.643235405598374E-006 -4.334246353908102E-004 0.745184775536272 0.745127030875213 0.760979819310331 0.760962995816203 0.760542243932694 0.760541137501977 3.144439263507904E-006 3.144439263507904E-006 -4.269230902712308E-004 0.745184769102366 0.745127021832203 0.760979833001327 0.760963002433350 0.760542247951615 0.760541133471278 -3.126546003030262E-006 -3.126546003030262E-006 -4.269126048384643E-004 0.745146674759783 0.745160610901770 0.761000454050754 0.760945550442847 0.760528062845926 0.760554737092990 3.298222401543544E-006 3.298222401543544E-006 -4.159329342355110E-004 0.745146666173867 0.745160604909211 0.761000465209628 0.760945556607941 0.760528068093134 0.760554731829005 -3.286186923620476E-006 -3.286186923620476E-006 -4.159347499764119E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201374 logg= -0.006769 ETOT= -17.796165 -17.808811 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.200992 logg= -0.006876 ETOT= -17.788530 -17.800434 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201101 logg= -0.006831 ETOT= -17.793196 -17.804912 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201146 logg= -0.006881 ETOT= -17.782980 -17.794776 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100463 logg= -0.003138 ETOT= -8.890735 -8.895368 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.204274 logg= -0.008377 ETOT= -17.752022 -17.768253 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201172 logg= -0.006469 ETOT= -17.779976 -17.790355 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201975 logg= -0.007306 ETOT= -17.771079 -17.783413 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201435 logg= -0.006872 ETOT= -17.778132 -17.789701 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201371 logg= -0.006769 ETOT= -17.796168 -17.808813 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 7.100753 logg= -0.003367 ETOT= -8.898577 -8.905093 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=689 Density= 14.201033 logg= -0.006531 ETOT= -17.786775 -17.797451 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201024 logg= -0.006530 ETOT= -17.786778 -17.797455 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.203029 logg= -0.007795 ETOT= -17.759185 -17.773017 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201734 logg= -0.006908 ETOT= -17.799277 -17.813150 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=698 Density= 14.201089 logg= -0.006626 ETOT= -17.791685 -17.802694 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100496 logg= -0.003153 ETOT= -8.891929 -8.896325 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201149 logg= -0.006881 ETOT= -17.782979 -17.794775 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100603 logg= -0.003258 ETOT= -8.896351 -8.902024 Density= 14.204274 logg= -0.008377 ETOT= -17.752023 -17.768253 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=693 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201186 logg= -0.007129 ETOT= -17.783200 -17.795642 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.201098 logg= -0.006485 ETOT= -17.782505 -17.793005 Density= 14.201589 logg= -0.007273 ETOT= -17.776864 -17.789398 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.201438 logg= -0.006872 ETOT= -17.778132 -17.789700 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=697 Density= 14.201180 logg= -0.006471 ETOT= -17.779979 -17.790352 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.202207 logg= -0.007579 ETOT= -17.769609 -17.782571 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=695 Density= 14.205308 logg= -0.008802 ETOT= -17.748082 -17.765655 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=686 Density= 7.100755 logg= -0.003367 ETOT= -8.898575 -8.905091 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201649 logg= -0.006870 ETOT= -17.775302 -17.786725 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.202210 logg= -0.007299 ETOT= -17.767744 -17.779881 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201096 logg= -0.006626 ETOT= -17.791681 -17.802691 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 3.550522 logg= -0.001766 ETOT= -4.450397 -4.454096 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 7.100531 logg= -0.003188 ETOT= -8.893982 -8.898776 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201588 logg= -0.007273 ETOT= -17.776864 -17.789398 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.100950 logg= -0.003480 ETOT= -8.900211 -8.907365 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=685 Density= 7.100525 logg= -0.003188 ETOT= -8.893984 -8.898779 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203650 logg= -0.008139 ETOT= -17.756108 -17.771179 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200995 logg= -0.006875 ETOT= -17.788529 -17.800432 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100949 logg= -0.003480 ETOT= -8.900212 -8.907365 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=685 Density= 14.201107 logg= -0.006486 ETOT= -17.782505 -17.793001 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.202746 logg= -0.007743 ETOT= -17.763080 -17.776247 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 7.100489 logg= -0.003152 ETOT= -8.891929 -8.896328 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100471 logg= -0.003139 ETOT= -8.890737 -8.895365 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203029 logg= -0.007795 ETOT= -17.759186 -17.773017 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201975 logg= -0.007306 ETOT= -17.771079 -17.783413 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100599 logg= -0.003258 ETOT= -8.896353 -8.902027 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202210 logg= -0.007299 ETOT= -17.767744 -17.779881 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=699 Density= 14.201648 logg= -0.006870 ETOT= -17.775301 -17.786726 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.202746 logg= -0.007743 ETOT= -17.763080 -17.776247 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Sum of eigenvalues= -10219.8814024351 eV TrLogG= -10226.9282096683 eV Ratio to renormalize= 0.999955116047 rho-rho_expected= 0.026931580876 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 454 16) Finished k-point number 17 1 with #bands= 458 3) Finished k-point number 4 1 with #bands= 456 35) Finished k-point number 36 1 with #bands= 454 37) Finished k-point number 38 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 31) Finished k-point number 32 1 with #bands= 452 34) Finished k-point number 35 1 with #bands= 456 30) Finished k-point number 31 1 with #bands= 452 33) Finished k-point number 34 1 with #bands= 456 28) Finished k-point number 29 1 with #bands= 454 38) Finished k-point number 39 1 with #bands= 454 36) Finished k-point number 37 1 with #bands= 454 43) Finished k-point number 44 1 with #bands= 452 32) Finished k-point number 33 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 18) Finished k-point number 19 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 0) Finished k-point number 1 1 with #bands= 458 46) Finished k-point number 47 1 with #bands= 456 1) Finished k-point number 2 1 with #bands= 456 20) Finished k-point number 21 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 39) Finished k-point number 40 1 with #bands= 456 4) Finished k-point number 5 1 with #bands= 454 21) Finished k-point number 22 1 with #bands= 456 17) Finished k-point number 18 1 with #bands= 458 15) Finished k-point number 16 1 with #bands= 458 26) Finished k-point number 27 1 with #bands= 454 47) Finished k-point number 48 1 with #bands= 460 11) Finished k-point number 12 1 with #bands= 452 24) Finished k-point number 25 1 with #bands= 454 27) Finished k-point number 28 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 14) Finished k-point number 15 1 with #bands= 458 22) Finished k-point number 23 1 with #bands= 458 23) Finished k-point number 24 1 with #bands= 458 44) Finished k-point number 45 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 7) Finished k-point number 8 1 with #bands= 456 25) Finished k-point number 26 1 with #bands= 452 29) Finished k-point number 30 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 40) Finished k-point number 41 1 with #bands= 460 6) Finished k-point number 7 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745104234148092 0.745166805779373 0.760948145659892 0.760963945182568 0.760520532066387 0.760528122018802 3.931020489798709E-006 3.931020489798709E-006 -4.137405755477867E-004 0.745104232409079 0.745166806744641 0.760948142638054 0.760963950993572 0.760520535850423 0.760528118283737 -3.918888064487121E-006 -3.918888064487121E-006 -4.137381715733424E-004 0.745147934711645 0.745134191268263 0.760920765020155 0.760979544400727 0.760537673019475 0.760511455325845 6.226340490074933E-006 6.226340490074933E-006 -4.329163421596389E-004 0.745147938648387 0.745134182676428 0.760920766384959 0.760979549283313 0.760537682051991 0.760511446262319 -6.216273416155386E-006 -6.216273416155386E-006 -4.329147127030770E-004 0.745168328765777 0.745106750784682 0.760966815144382 0.760943811892130 0.760529233322820 0.760521041222605 4.047620358684917E-006 4.047620358684917E-006 -4.293150980393197E-004 0.745168324393463 0.745106797261698 0.760966807929872 0.760943772996770 0.760529246932721 0.760521027594471 -4.060986743964779E-006 -4.060986743964779E-006 -4.292956189153177E-004 0.745131817857095 0.745144554320592 0.760979486271571 0.760927870602059 0.760511348879279 0.760538348822032 3.738983022614835E-006 3.738983022614835E-006 -4.169908588760701E-004 0.745131812068151 0.745144551537938 0.760979504129425 0.760927863472626 0.760511347788446 0.760538349882351 -3.725677510721857E-006 -3.725677510721857E-006 -4.169890299920334E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200577 logg= -0.006988 ETOT= -17.787947 -17.800007 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200782 logg= -0.007239 ETOT= -17.782608 -17.795207 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.200639 logg= -0.006597 ETOT= -17.781948 -17.792604 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200942 logg= -0.006885 ETOT= -17.795597 -17.808411 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.200720 logg= -0.006991 ETOT= -17.782401 -17.794354 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202355 logg= -0.007851 ETOT= -17.762481 -17.775808 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201181 logg= -0.007382 ETOT= -17.776273 -17.788963 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.203912 logg= -0.008486 ETOT= -17.751406 -17.767804 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.203278 logg= -0.008248 ETOT= -17.755498 -17.770736 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 3.550415 logg= -0.001795 ETOT= -4.450254 -4.453996 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 7.100233 logg= -0.003196 ETOT= -8.890464 -8.895163 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200579 logg= -0.006988 ETOT= -17.787945 -17.800005 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200706 logg= -0.006581 ETOT= -17.779421 -17.789957 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200713 logg= -0.006582 ETOT= -17.779424 -17.789954 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100532 logg= -0.003425 ETOT= -8.898296 -8.904896 Density= 14.200998 logg= -0.006981 ETOT= -17.777559 -17.789284 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200651 logg= -0.006740 ETOT= -17.791119 -17.802291 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100376 logg= -0.003316 ETOT= -8.896073 -8.901830 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201561 logg= -0.007414 ETOT= -17.770492 -17.782982 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.200684 logg= -0.006945 ETOT= -17.792616 -17.804491 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200939 logg= -0.006885 ETOT= -17.795600 -17.808413 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 7.100294 logg= -0.003245 ETOT= -8.893708 -8.898588 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201205 logg= -0.006979 ETOT= -17.774732 -17.786312 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201204 logg= -0.006979 ETOT= -17.774731 -17.786313 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200575 logg= -0.006644 ETOT= -17.786216 -17.797049 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100260 logg= -0.003209 ETOT= -8.891656 -8.896124 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100372 logg= -0.003316 ETOT= -8.896076 -8.901833 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201791 logg= -0.007407 ETOT= -17.767160 -17.779453 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201000 logg= -0.006982 ETOT= -17.777559 -17.789283 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100254 logg= -0.003209 ETOT= -8.891656 -8.896127 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200657 logg= -0.006740 ETOT= -17.791115 -17.802287 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=701 Density= 14.201560 logg= -0.007414 ETOT= -17.770492 -17.782982 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100535 logg= -0.003425 ETOT= -8.898295 -8.904894 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.204968 logg= -0.008912 ETOT= -17.747454 -17.765195 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=686 Density= 14.200647 logg= -0.006598 ETOT= -17.781948 -17.792600 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200723 logg= -0.006991 ETOT= -17.782399 -17.794352 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100226 logg= -0.003194 ETOT= -8.890462 -8.895165 Density= 14.203912 logg= -0.008486 ETOT= -17.751406 -17.767804 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200583 logg= -0.006644 ETOT= -17.786213 -17.797044 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.202638 logg= -0.007903 ETOT= -17.758587 -17.772584 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=697 Density= 7.100299 logg= -0.003246 ETOT= -8.893707 -8.898585 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201812 logg= -0.007687 ETOT= -17.769011 -17.782129 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100733 logg= -0.003539 ETOT= -8.899929 -8.907166 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=680 Density= 14.201181 logg= -0.007382 ETOT= -17.776273 -17.788963 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.202355 logg= -0.007851 ETOT= -17.762481 -17.775808 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100734 logg= -0.003539 ETOT= -8.899928 -8.907165 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=680 Density= 14.201303 logg= -0.007025 ETOT= -17.798710 -17.812750 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 14.202638 logg= -0.007903 ETOT= -17.758587 -17.772584 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201791 logg= -0.007407 ETOT= -17.767160 -17.779453 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Sum of eigenvalues= -10219.5490907813 eV TrLogG= -10226.6876814758 eV Ratio to renormalize= 0.999984968657 rho-rho_expected= 0.009018941656 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 452 29) Finished k-point number 30 1 with #bands= 452 24) Finished k-point number 25 1 with #bands= 454 47) Finished k-point number 48 1 with #bands= 460 28) Finished k-point number 29 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 5) Finished k-point number 6 1 with #bands= 454 26) Finished k-point number 27 1 with #bands= 454 31) Finished k-point number 32 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 19) Finished k-point number 20 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 37) Finished k-point number 38 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 3) Finished k-point number 4 1 with #bands= 456 30) Finished k-point number 31 1 with #bands= 452 42) Finished k-point number 43 1 with #bands= 452 35) Finished k-point number 36 1 with #bands= 454 44) Finished k-point number 45 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 23) Finished k-point number 24 1 with #bands= 458 6) Finished k-point number 7 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 45) Finished k-point number 46 1 with #bands= 452 4) Finished k-point number 5 1 with #bands= 454 16) Finished k-point number 17 1 with #bands= 458 36) Finished k-point number 37 1 with #bands= 454 2) Finished k-point number 3 1 with #bands= 458 34) Finished k-point number 35 1 with #bands= 456 40) Finished k-point number 41 1 with #bands= 460 10) Finished k-point number 11 1 with #bands= 458 12) Finished k-point number 13 1 with #bands= 454 43) Finished k-point number 44 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 21) Finished k-point number 22 1 with #bands= 456 17) Finished k-point number 18 1 with #bands= 458 11) Finished k-point number 12 1 with #bands= 452 32) Finished k-point number 33 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 13) Finished k-point number 14 1 with #bands= 452 20) Finished k-point number 21 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 48) Finished k-point number 49 1 with #bands= 464 18) Finished k-point number 19 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 14) Finished k-point number 15 1 with #bands= 458 41) Finished k-point number 42 1 with #bands= 460 7) Finished k-point number 8 1 with #bands= 456 9) Finished k-point number 10 1 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745108624424955 0.745167556341384 0.760945266074453 0.760962624096215 0.760522946683831 0.760526813982469 4.900620886083005E-006 4.900620886083005E-006 -4.149416493043990E-004 0.745108628794303 0.745167549873560 0.760945262574859 0.760962630679548 0.760522943024264 0.760526817668361 -4.883601231215112E-006 -4.883601231215112E-006 -4.149474784353026E-004 0.745147025408158 0.745131498145666 0.760922940004546 0.760982430300918 0.760538742900689 0.760511474455421 4.764164562170447E-006 4.764164562170447E-006 -4.331448896838994E-004 0.745147023875790 0.745131492021423 0.760922949825390 0.760982429526672 0.760538747643414 0.760511469723360 -4.753518799415030E-006 -4.753518799415030E-006 -4.331444377976747E-004 0.745166345490876 0.745110397933677 0.760966648118714 0.760943927918957 0.760527226697494 0.760524514341585 5.935576298025878E-006 5.935576298025878E-006 -4.270294282343951E-004 0.745166333554303 0.745110417640193 0.760966631591497 0.760943931135444 0.760527233038423 0.760524508004137 -5.929850985762218E-006 -5.929850985762218E-006 -4.270426180162291E-004 0.745128370152664 0.745144085639172 0.760983403883498 0.760930120200043 0.760512317599621 0.760538831541597 3.106921902713064E-006 3.106921902713064E-006 -4.162630984282634E-004 0.745128370628994 0.745144080979613 0.760983418426827 0.760930108314068 0.760512317010864 0.760538832114109 -3.091816570353354E-006 -3.091816570353354E-006 -4.162636755142160E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201269 logg= -0.007066 ETOT= -17.774716 -17.786395 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.203312 logg= -0.008333 ETOT= -17.755495 -17.770832 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100423 logg= -0.003361 ETOT= -8.896060 -8.901864 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.200716 logg= -0.006686 ETOT= -17.781929 -17.792679 Density= 14.200659 logg= -0.006733 ETOT= -17.786194 -17.797121 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200725 logg= -0.006687 ETOT= -17.781928 -17.792675 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.204972 logg= -0.008994 ETOT= -17.747466 -17.765306 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=684 Density= 14.201030 logg= -0.006975 ETOT= -17.795574 -17.808481 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100419 logg= -0.003361 ETOT= -8.896062 -8.901866 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=695 Density= 14.200778 logg= -0.006669 ETOT= -17.779405 -17.790035 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200654 logg= -0.007078 ETOT= -17.787928 -17.800083 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 3.550436 logg= -0.001818 ETOT= -4.450250 -4.454014 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=685 Density= 7.100580 logg= -0.003470 ETOT= -8.898282 -8.904929 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.202404 logg= -0.007938 ETOT= -17.762472 -17.775899 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201271 logg= -0.007067 ETOT= -17.774717 -17.786394 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100295 logg= -0.003253 ETOT= -8.891645 -8.896164 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200744 logg= -0.006830 ETOT= -17.791092 -17.802357 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201621 logg= -0.007502 ETOT= -17.770479 -17.783066 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100577 logg= -0.003470 ETOT= -8.898284 -8.904930 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.100344 logg= -0.003290 ETOT= -8.893694 -8.898619 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201067 logg= -0.007070 ETOT= -17.777543 -17.789365 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.200786 logg= -0.006671 ETOT= -17.779407 -17.790032 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200849 logg= -0.007329 ETOT= -17.782594 -17.795289 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=692 Density= 14.201852 logg= -0.007494 ETOT= -17.767146 -17.779537 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100264 logg= -0.003239 ETOT= -8.890453 -8.895203 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200657 logg= -0.007078 ETOT= -17.787927 -17.800082 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 7.100301 logg= -0.003254 ETOT= -8.891645 -8.896161 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200793 logg= -0.007081 ETOT= -17.782384 -17.794432 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.202687 logg= -0.007989 ETOT= -17.758577 -17.772673 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201852 logg= -0.007494 ETOT= -17.767146 -17.779537 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201242 logg= -0.007471 ETOT= -17.776261 -17.789048 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.203937 logg= -0.008570 ETOT= -17.751408 -17.767905 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200766 logg= -0.007035 ETOT= -17.792596 -17.804565 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.201069 logg= -0.007070 ETOT= -17.777543 -17.789364 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.201026 logg= -0.006975 ETOT= -17.795576 -17.808483 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100776 logg= -0.003584 ETOT= -8.899918 -8.907202 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.203937 logg= -0.008570 ETOT= -17.751408 -17.767905 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100775 logg= -0.003584 ETOT= -8.899918 -8.907202 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 7.100272 logg= -0.003240 ETOT= -8.890455 -8.895200 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200738 logg= -0.006830 ETOT= -17.791095 -17.802361 Density= 14.200667 logg= -0.006733 ETOT= -17.786191 -17.797117 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201243 logg= -0.007471 ETOT= -17.776261 -17.789048 Density= 14.201864 logg= -0.007775 ETOT= -17.769003 -17.782218 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.201389 logg= -0.007115 ETOT= -17.798688 -17.812822 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=696 Density= 14.201621 logg= -0.007502 ETOT= -17.770479 -17.783067 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202404 logg= -0.007938 ETOT= -17.762472 -17.775898 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100338 logg= -0.003290 ETOT= -8.893696 -8.898622 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202687 logg= -0.007989 ETOT= -17.758577 -17.772674 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200796 logg= -0.007081 ETOT= -17.782383 -17.794431 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Sum of eigenvalues= -10219.5402457044 eV TrLogG= -10226.7340398325 eV Ratio to renormalize= 0.999980195507 rho-rho_expected= 0.011882931355 nargs= 1 argi=dmft2.def 20) Finished k-point number 21 1 with #bands= 452 23) Finished k-point number 24 1 with #bands= 458 30) Finished k-point number 31 1 with #bands= 452 39) Finished k-point number 40 1 with #bands= 456 37) Finished k-point number 38 1 with #bands= 454 31) Finished k-point number 32 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 35) Finished k-point number 36 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 34) Finished k-point number 35 1 with #bands= 456 36) Finished k-point number 37 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 2) Finished k-point number 3 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 32) Finished k-point number 33 1 with #bands= 452 48) Finished k-point number 49 1 with #bands= 464 26) Finished k-point number 27 1 with #bands= 454 45) Finished k-point number 46 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 6) Finished k-point number 7 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 28) Finished k-point number 29 1 with #bands= 454 12) Finished k-point number 13 1 with #bands= 454 22) Finished k-point number 23 1 with #bands= 458 7) Finished k-point number 8 1 with #bands= 456 17) Finished k-point number 18 1 with #bands= 458 47) Finished k-point number 48 1 with #bands= 460 19) Finished k-point number 20 1 with #bands= 454 16) Finished k-point number 17 1 with #bands= 458 15) Finished k-point number 16 1 with #bands= 458 4) Finished k-point number 5 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 24) Finished k-point number 25 1 with #bands= 454 27) Finished k-point number 28 1 with #bands= 452 42) Finished k-point number 43 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 44) Finished k-point number 45 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 18) Finished k-point number 19 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 10) Finished k-point number 11 1 with #bands= 458 41) Finished k-point number 42 1 with #bands= 460 13) Finished k-point number 14 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 11) Finished k-point number 12 1 with #bands= 452 40) Finished k-point number 41 1 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745107980506617 0.745166740248306 0.760945083737399 0.760962238784266 0.760523038424212 0.760526158718597 4.128307978901347E-006 4.128307978901347E-006 -4.152653304161901E-004 0.745107951577582 0.745166758800715 0.760945054005029 0.760962279931306 0.760523037749076 0.760526159423013 -4.108794298364576E-006 -4.108794298364576E-006 -4.152451860486751E-004 0.745143964722927 0.745131206776920 0.760923430236182 0.760983752146418 0.760538634496845 0.760510994087515 4.238802393587894E-006 4.238802393587894E-006 -4.337985093546033E-004 0.745143948569344 0.745131191306934 0.760923454713287 0.760983762528818 0.760538632516908 0.760510996078468 -4.237373132643536E-006 -4.237373132643536E-006 -4.337958086515258E-004 0.745166940287203 0.745109515117758 0.760966783254190 0.760942450737744 0.760526810440699 0.760524619455365 4.631448520419459E-006 4.631448520419459E-006 -4.268117825970387E-004 0.745166935612098 0.745109524253538 0.760966782213090 0.760942445246945 0.760526817390261 0.760524612499070 -4.622588727629334E-006 -4.622588727629334E-006 -4.268148092112600E-004 0.745126383129695 0.745143871163555 0.760984203607036 0.760930535901376 0.760510929890435 0.760539882988195 8.960021081589930E-007 8.960021081589930E-007 -4.148994844198362E-004 0.745126376987331 0.745143865594341 0.760984215113486 0.760930536637635 0.760510931488383 0.760539881374624 -8.892438675041571E-007 -8.892438675041571E-007 -4.148999334149850E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200050 logg= -0.007258 ETOT= -17.788207 -17.800601 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=699 Density= 3.550278 logg= -0.001862 ETOT= -4.450322 -4.454146 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=672 Density= 14.200178 logg= -0.006852 ETOT= -17.779683 -17.790553 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200041 logg= -0.006914 ETOT= -17.786482 -17.797648 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200144 logg= -0.007214 ETOT= -17.792884 -17.805093 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200109 logg= -0.006868 ETOT= -17.782211 -17.793201 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200205 logg= -0.007262 ETOT= -17.782655 -17.794942 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100459 logg= -0.003673 ETOT= -8.900064 -8.907468 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.200117 logg= -0.006869 ETOT= -17.782211 -17.793197 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201312 logg= -0.007678 ETOT= -17.767389 -17.780021 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.202814 logg= -0.008515 ETOT= -17.755711 -17.771290 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.200705 logg= -0.007251 ETOT= -17.774977 -17.786893 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100105 logg= -0.003451 ETOT= -8.896208 -8.902132 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200394 logg= -0.007154 ETOT= -17.795870 -17.809016 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=704 Density= 7.099960 logg= -0.003331 ETOT= -8.890601 -8.895466 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 14.203452 logg= -0.008751 ETOT= -17.751615 -17.768354 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200185 logg= -0.006853 ETOT= -17.779686 -17.790550 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200684 logg= -0.007653 ETOT= -17.776513 -17.789540 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.201883 logg= -0.008121 ETOT= -17.762702 -17.776370 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201329 logg= -0.007957 ETOT= -17.769241 -17.782697 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.099952 logg= -0.003330 ETOT= -8.890598 -8.895469 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 7.100028 logg= -0.003381 ETOT= -8.893842 -8.898887 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100023 logg= -0.003381 ETOT= -8.893843 -8.898889 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=701 Density= 14.204508 logg= -0.009173 ETOT= -17.747658 -17.765741 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.200269 logg= -0.007509 ETOT= -17.782858 -17.795793 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.200493 logg= -0.007253 ETOT= -17.777806 -17.789867 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200048 logg= -0.007258 ETOT= -17.788208 -17.800602 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100262 logg= -0.003559 ETOT= -8.898430 -8.905196 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100460 logg= -0.003673 ETOT= -8.900063 -8.907467 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.200685 logg= -0.007653 ETOT= -17.776512 -17.789540 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.099981 logg= -0.003344 ETOT= -8.891791 -8.896430 Density= 7.099988 logg= -0.003345 ETOT= -8.891791 -8.896427 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.200703 logg= -0.007250 ETOT= -17.774976 -17.786894 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100101 logg= -0.003451 ETOT= -8.896210 -8.902134 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200208 logg= -0.007262 ETOT= -17.782653 -17.794940 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200495 logg= -0.007253 ETOT= -17.777806 -17.789866 Density= 14.201075 logg= -0.007685 ETOT= -17.770725 -17.783553 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200111 logg= -0.007010 ETOT= -17.791387 -17.802892 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201883 logg= -0.008121 ETOT= -17.762702 -17.776369 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100260 logg= -0.003559 ETOT= -8.898431 -8.905197 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.203452 logg= -0.008751 ETOT= -17.751615 -17.768354 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201076 logg= -0.007685 ETOT= -17.770725 -17.783552 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200397 logg= -0.007154 ETOT= -17.795868 -17.809014 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.200049 logg= -0.006915 ETOT= -17.786478 -17.797644 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201312 logg= -0.007678 ETOT= -17.767389 -17.780021 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.200757 logg= -0.007293 ETOT= -17.798980 -17.813354 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 14.202173 logg= -0.008172 ETOT= -17.758803 -17.773141 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200117 logg= -0.007010 ETOT= -17.791384 -17.802889 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.202172 logg= -0.008172 ETOT= -17.758803 -17.773142 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Sum of eigenvalues= -10219.6919347045 eV TrLogG= -10227.0236416071 eV Ratio to renormalize= 1.000020932155 rho-rho_expected=-0.012559029949 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 28) Finished k-point number 29 1 with #bands= 454 47) Finished k-point number 48 1 with #bands= 460 5) Finished k-point number 6 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 2) Finished k-point number 3 1 with #bands= 458 1) Finished k-point number 2 1 with #bands= 456 24) Finished k-point number 25 1 with #bands= 454 18) Finished k-point number 19 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 11) Finished k-point number 12 1 with #bands= 452 4) Finished k-point number 5 1 with #bands= 454 16) Finished k-point number 17 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 48) Finished k-point number 49 1 with #bands= 464 35) Finished k-point number 36 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 44) Finished k-point number 45 1 with #bands= 452 26) Finished k-point number 27 1 with #bands= 454 19) Finished k-point number 20 1 with #bands= 454 23) Finished k-point number 24 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 12) Finished k-point number 13 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 20) Finished k-point number 21 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 17) Finished k-point number 18 1 with #bands= 458 32) Finished k-point number 33 1 with #bands= 452 25) Finished k-point number 26 1 with #bands= 452 3) Finished k-point number 4 1 with #bands= 456 30) Finished k-point number 31 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 7) Finished k-point number 8 1 with #bands= 456 13) Finished k-point number 14 1 with #bands= 452 36) Finished k-point number 37 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 27) Finished k-point number 28 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 37) Finished k-point number 38 1 with #bands= 454 14) Finished k-point number 15 1 with #bands= 458 8) Finished k-point number 9 1 with #bands= 456 41) Finished k-point number 42 1 with #bands= 460 10) Finished k-point number 11 1 with #bands= 458 31) Finished k-point number 32 1 with #bands= 452 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745098070208898 0.745156423602739 0.760939761860540 0.760957744299550 0.760514137006925 0.760519904030476 4.138080546211160E-006 4.138080546211160E-006 -4.151105542809391E-004 0.745098068091278 0.745156432916684 0.760939756323096 0.760957745177897 0.760514136151967 0.760519904926861 -4.129143893944996E-006 -4.129143893944996E-006 -4.151065534524294E-004 0.745139222678654 0.745122067484020 0.760917304849789 0.760972819340461 0.760529182465795 0.760505355262109 6.010109034070647E-006 6.010109034070647E-006 -4.326444901348618E-004 0.745139229788480 0.745122058540293 0.760917305606166 0.760972821222377 0.760529183553098 0.760505354201540 -5.997792418842873E-006 -5.997792418842873E-006 -4.326478656170758E-004 0.745156911780090 0.745096952950393 0.760961814494347 0.760938910399408 0.760520598690884 0.760514949512545 3.939559959116606E-006 3.939559959116606E-006 -4.277428798047018E-004 0.745156906918914 0.745096979521276 0.760961817872018 0.760938883883416 0.760520601400741 0.760514946812614 -3.943061395696266E-006 -3.943061395696266E-006 -4.277174555131725E-004 0.745118662363321 0.745135286564408 0.760976196544686 0.760922359091142 0.760505204651559 0.760529788680566 3.559904614605146E-006 3.559904614605146E-006 -4.156647852310402E-004 0.745118657911733 0.745135281887884 0.760976201236038 0.760922357650229 0.760505202633186 0.760529790671620 -3.550678328636149E-006 -3.550678328636149E-006 -4.156783200256280E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201618 logg= -0.007429 ETOT= -17.770113 -17.782619 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200784 logg= -0.007005 ETOT= -17.782018 -17.793986 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100756 logg= -0.003547 ETOT= -8.899743 -8.906991 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.200781 logg= -0.007005 ETOT= -17.782020 -17.793988 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200749 logg= -0.006959 ETOT= -17.792233 -17.804125 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=701 Density= 14.200741 logg= -0.006596 ETOT= -17.779064 -17.789608 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200620 logg= -0.006657 ETOT= -17.785846 -17.796691 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.100557 logg= -0.003432 ETOT= -8.898110 -8.904719 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.200703 logg= -0.006754 ETOT= -17.790745 -17.801933 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.203942 logg= -0.008509 ETOT= -17.751047 -17.767470 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.202689 logg= -0.007921 ETOT= -17.758212 -17.772233 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 3.550426 logg= -0.001799 ETOT= -4.450162 -4.453909 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=672 Density= 14.200733 logg= -0.006595 ETOT= -17.779061 -17.789611 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200854 logg= -0.007254 ETOT= -17.782220 -17.794835 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200674 logg= -0.006611 ETOT= -17.781583 -17.792253 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201351 logg= -0.007041 ETOT= -17.798338 -17.812399 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 7.100234 logg= -0.003202 ETOT= -8.890286 -8.894992 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200991 logg= -0.006900 ETOT= -17.795225 -17.808058 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.201247 logg= -0.006992 ETOT= -17.774361 -17.785957 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201844 logg= -0.007421 ETOT= -17.766783 -17.779092 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 7.100315 logg= -0.003253 ETOT= -8.893526 -8.898413 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201618 logg= -0.007429 ETOT= -17.770113 -17.782619 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200648 logg= -0.007002 ETOT= -17.787560 -17.799635 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.204973 logg= -0.008937 ETOT= -17.747109 -17.764878 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.201872 logg= -0.007704 ETOT= -17.768631 -17.781766 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100393 logg= -0.003323 ETOT= -8.895892 -8.901658 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201245 logg= -0.006992 ETOT= -17.774360 -17.785957 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200709 logg= -0.006754 ETOT= -17.790741 -17.801930 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.100265 logg= -0.003216 ETOT= -8.891478 -8.895953 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201047 logg= -0.006995 ETOT= -17.777184 -17.788925 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201246 logg= -0.007397 ETOT= -17.775889 -17.788596 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202689 logg= -0.007921 ETOT= -17.758213 -17.772233 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200645 logg= -0.007002 ETOT= -17.787561 -17.799636 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100755 logg= -0.003547 ETOT= -8.899744 -8.906991 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.203319 logg= -0.008268 ETOT= -17.755130 -17.770393 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200994 logg= -0.006900 ETOT= -17.795223 -17.808056 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.202409 logg= -0.007869 ETOT= -17.762104 -17.775452 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200681 logg= -0.006612 ETOT= -17.781583 -17.792249 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201050 logg= -0.006995 ETOT= -17.777184 -17.788923 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100555 logg= -0.003432 ETOT= -8.898111 -8.904721 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 7.100242 logg= -0.003203 ETOT= -8.890289 -8.894990 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100397 logg= -0.003323 ETOT= -8.895890 -8.901656 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100310 logg= -0.003252 ETOT= -8.893527 -8.898415 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203942 logg= -0.008509 ETOT= -17.751047 -17.767470 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201246 logg= -0.007398 ETOT= -17.775889 -17.788595 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202409 logg= -0.007869 ETOT= -17.762104 -17.775452 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201844 logg= -0.007421 ETOT= -17.766783 -17.779093 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 7.100272 logg= -0.003217 ETOT= -8.891478 -8.895951 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200628 logg= -0.006658 ETOT= -17.785843 -17.796687 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Sum of eigenvalues= -10219.3353411254 eV TrLogG= -10226.4837927934 eV Ratio to renormalize= 0.999981645135 rho-rho_expected= 0.011013121239 nargs= 1 argi=dmft2.def 36) Finished k-point number 37 1 with #bands= 454 2) Finished k-point number 3 1 with #bands= 458 27) Finished k-point number 28 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 15) Finished k-point number 16 1 with #bands= 458 5) Finished k-point number 6 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 24) Finished k-point number 25 1 with #bands= 454 21) Finished k-point number 22 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 32) Finished k-point number 33 1 with #bands= 452 35) Finished k-point number 36 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 31) Finished k-point number 32 1 with #bands= 452 34) Finished k-point number 35 1 with #bands= 456 1) Finished k-point number 2 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 48) Finished k-point number 49 1 with #bands= 464 4) Finished k-point number 5 1 with #bands= 454 23) Finished k-point number 24 1 with #bands= 458 46) Finished k-point number 47 1 with #bands= 456 28) Finished k-point number 29 1 with #bands= 454 20) Finished k-point number 21 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 26) Finished k-point number 27 1 with #bands= 454 22) Finished k-point number 23 1 with #bands= 458 7) Finished k-point number 8 1 with #bands= 456 0) Finished k-point number 1 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 37) Finished k-point number 38 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 45) Finished k-point number 46 1 with #bands= 452 30) Finished k-point number 31 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 40) Finished k-point number 41 1 with #bands= 460 44) Finished k-point number 45 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 18) Finished k-point number 19 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 10) Finished k-point number 11 1 with #bands= 458 6) Finished k-point number 7 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 9) Finished k-point number 10 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745135454365371 0.745192860803685 0.760974420324061 0.760990719896988 0.760548002889469 0.760554073374021 3.373871553923493E-006 3.373871553923493E-006 -4.135430297309500E-004 0.745135466063286 0.745192859675718 0.760974420596486 0.760990709842938 0.760548002537642 0.760554073764560 -3.364040442809654E-006 -3.364040442809654E-006 -4.135438407489005E-004 0.745169081200987 0.745158142675916 0.760954022541947 0.761012489210199 0.760564102616900 0.760538394530290 4.781288904144215E-006 4.781288904144215E-006 -4.343935294224507E-004 0.745169079569054 0.745158140784224 0.760954021622768 0.761012494236873 0.760564086975918 0.760538410171440 -4.773952412608809E-006 -4.773952412608809E-006 -4.343951055912761E-004 0.745195260860656 0.745139648740200 0.760993838122826 0.760968909514678 0.760554276542732 0.760549970680845 4.684174074262744E-006 4.684174074262744E-006 -4.270042677391932E-004 0.745195244117253 0.745139667442792 0.760993813906407 0.760968928634966 0.760554273083793 0.760549974136902 -4.674335293281696E-006 -4.674335293281696E-006 -4.269994301781505E-004 0.745157742352511 0.745169577070020 0.761012775328187 0.760956093689036 0.760538986527182 0.760564653806846 4.235089977771206E-006 4.235089977771206E-006 -4.165601772536682E-004 0.745157747618041 0.745169571876486 0.761012783978139 0.760956083133665 0.760538989830398 0.760564650415307 -4.220633721778000E-006 -4.220633721778000E-006 -4.165639915890677E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201094 logg= -0.006704 ETOT= -17.780496 -17.791121 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201346 logg= -0.007005 ETOT= -17.796652 -17.809539 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201343 logg= -0.007005 ETOT= -17.796654 -17.809541 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201055 logg= -0.006861 ETOT= -17.792174 -17.803429 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.205361 logg= -0.009031 ETOT= -17.748508 -17.766331 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=684 Density= 14.201096 logg= -0.007065 ETOT= -17.793666 -17.805632 Density= 14.203078 logg= -0.008022 ETOT= -17.759614 -17.773693 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201035 logg= -0.006719 ETOT= -17.783014 -17.793761 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201612 logg= -0.007502 ETOT= -17.777307 -17.790097 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.202226 logg= -0.007525 ETOT= -17.768191 -17.780583 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201618 logg= -0.007098 ETOT= -17.775779 -17.787457 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=692 Density= 14.201209 logg= -0.007359 ETOT= -17.783645 -17.796345 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=691 Density= 14.200974 logg= -0.006764 ETOT= -17.787276 -17.798204 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100404 logg= -0.003256 ETOT= -8.891007 -8.895767 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.204331 logg= -0.008606 ETOT= -17.752446 -17.768926 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.201140 logg= -0.007111 ETOT= -17.783444 -17.795495 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201994 logg= -0.007534 ETOT= -17.771524 -17.784114 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.201061 logg= -0.006860 ETOT= -17.792171 -17.803426 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100572 logg= -0.003376 ETOT= -8.896606 -8.902399 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 3.550514 logg= -0.001825 ETOT= -4.450519 -4.454279 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=679 Density= 14.201613 logg= -0.007502 ETOT= -17.777306 -17.790097 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.201414 logg= -0.007101 ETOT= -17.778604 -17.790427 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 7.100932 logg= -0.003598 ETOT= -8.900457 -8.907731 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.201416 logg= -0.007102 ETOT= -17.778604 -17.790426 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201143 logg= -0.007112 ETOT= -17.783443 -17.795494 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201087 logg= -0.006703 ETOT= -17.780493 -17.791123 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100444 logg= -0.003271 ETOT= -8.892197 -8.896718 Density= 14.202226 logg= -0.007525 ETOT= -17.768191 -17.780583 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.202792 logg= -0.007971 ETOT= -17.763510 -17.776930 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=691 Density= 14.200995 logg= -0.007108 ETOT= -17.788991 -17.801150 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201027 logg= -0.006718 ETOT= -17.783014 -17.793765 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.204331 logg= -0.008606 ETOT= -17.752446 -17.768926 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.200981 logg= -0.006765 ETOT= -17.787273 -17.798200 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100575 logg= -0.003376 ETOT= -8.896604 -8.902397 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 7.100933 logg= -0.003598 ETOT= -8.900457 -8.907731 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 7.100735 logg= -0.003484 ETOT= -8.898823 -8.905459 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.201704 logg= -0.007144 ETOT= -17.799766 -17.813880 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=696 Density= 14.200997 logg= -0.007108 ETOT= -17.788990 -17.801148 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 7.100487 logg= -0.003306 ETOT= -8.894243 -8.899158 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201616 logg= -0.007098 ETOT= -17.775778 -17.787457 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=692 Density= 14.203706 logg= -0.008368 ETOT= -17.756532 -17.771852 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201995 logg= -0.007534 ETOT= -17.771524 -17.784113 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.100438 logg= -0.003270 ETOT= -8.892196 -8.896721 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100733 logg= -0.003485 ETOT= -8.898824 -8.905461 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.100492 logg= -0.003306 ETOT= -8.894242 -8.899156 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202792 logg= -0.007971 ETOT= -17.763510 -17.776930 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 14.202246 logg= -0.007807 ETOT= -17.770042 -17.783261 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100411 logg= -0.003258 ETOT= -8.891010 -8.895765 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203078 logg= -0.008022 ETOT= -17.759614 -17.773693 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Sum of eigenvalues= -10220.1519203017 eV TrLogG= -10227.3427346824 eV Ratio to renormalize= 0.999955995392 rho-rho_expected= 0.026403926692 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 23) Finished k-point number 24 1 with #bands= 458 33) Finished k-point number 34 1 with #bands= 456 39) Finished k-point number 40 1 with #bands= 456 26) Finished k-point number 27 1 with #bands= 454 28) Finished k-point number 29 1 with #bands= 454 47) Finished k-point number 48 1 with #bands= 460 27) Finished k-point number 28 1 with #bands= 452 37) Finished k-point number 38 1 with #bands= 454 45) Finished k-point number 46 1 with #bands= 452 31) Finished k-point number 32 1 with #bands= 452 48) Finished k-point number 49 1 with #bands= 464 36) Finished k-point number 37 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 2) Finished k-point number 3 1 with #bands= 458 46) Finished k-point number 47 1 with #bands= 456 20) Finished k-point number 21 1 with #bands= 452 32) Finished k-point number 33 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 29) Finished k-point number 30 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 22) Finished k-point number 23 1 with #bands= 458 3) Finished k-point number 4 1 with #bands= 456 24) Finished k-point number 25 1 with #bands= 454 18) Finished k-point number 19 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 13) Finished k-point number 14 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 16) Finished k-point number 17 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 9) Finished k-point number 10 1 with #bands= 458 14) Finished k-point number 15 1 with #bands= 458 7) Finished k-point number 8 1 with #bands= 456 15) Finished k-point number 16 1 with #bands= 458 21) Finished k-point number 22 1 with #bands= 456 30) Finished k-point number 31 1 with #bands= 452 35) Finished k-point number 36 1 with #bands= 454 44) Finished k-point number 45 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 12) Finished k-point number 13 1 with #bands= 454 6) Finished k-point number 7 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 11) Finished k-point number 12 1 with #bands= 452 40) Finished k-point number 41 1 with #bands= 460 8) Finished k-point number 9 1 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745130803550827 0.745190905946772 0.760972834400463 0.760989182633262 0.760546141755028 0.760551298900523 2.816848004800993E-006 2.816848004800993E-006 -4.127015312035051E-004 0.745130815135125 0.745190907634666 0.760972826605670 0.760989178849895 0.760546139823963 0.760551300867229 -2.820379533419819E-006 -2.820379533419819E-006 -4.126983231921025E-004 0.745166339973061 0.745157674230621 0.760951344306949 0.761008413308467 0.760561982630598 0.760535866974272 5.959554097586732E-006 5.959554097586732E-006 -4.327112881786127E-004 0.745166329066251 0.745157669585926 0.760951341395536 0.761008434687932 0.760561982270767 0.760535867333481 -5.946823232971372E-006 -5.946823232971372E-006 -4.327179516099522E-004 0.745191871670493 0.745137927806773 0.760989246741030 0.760968039090258 0.760552825600986 0.760546849416655 3.323456364398564E-006 3.323456364398564E-006 -4.269045765250922E-004 0.745191851190948 0.745137889869590 0.760989255029647 0.760968089347760 0.760552829776917 0.760546845241205 -3.283803120873599E-006 -3.283803120873599E-006 -4.269215529664289E-004 0.745157072491078 0.745166380886212 0.761010073638824 0.760953088014337 0.760536355506275 0.760562691802220 4.660947137657425E-006 4.660947137657425E-006 -4.170912947456884E-004 0.745157083372080 0.745166381788304 0.761010078578511 0.760953074457767 0.760536358706128 0.760562688510399 -4.642544173128436E-006 -4.642544173128436E-006 -4.170895885337196E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 7.100476 logg= -0.003503 ETOT= -8.898896 -8.905575 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=695 Density= 14.201772 logg= -0.007573 ETOT= -17.768309 -17.780785 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.200656 logg= -0.007152 ETOT= -17.783578 -17.795708 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200484 logg= -0.006800 ETOT= -17.787407 -17.798415 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200826 logg= -0.007042 ETOT= -17.796800 -17.809772 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=704 Density= 14.203919 logg= -0.008662 ETOT= -17.752536 -17.769113 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200545 logg= -0.006896 ETOT= -17.792316 -17.803654 Density= 14.200829 logg= -0.007042 ETOT= -17.796798 -17.809770 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.200553 logg= -0.006754 ETOT= -17.783139 -17.793968 Density= 7.100164 logg= -0.003271 ETOT= -8.891065 -8.895867 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.200545 logg= -0.006753 ETOT= -17.783139 -17.793971 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201772 logg= -0.007573 ETOT= -17.768309 -17.780785 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.200622 logg= -0.006739 ETOT= -17.780615 -17.791321 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200945 logg= -0.007143 ETOT= -17.778730 -17.790632 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.203918 logg= -0.008662 ETOT= -17.752536 -17.769114 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.204974 logg= -0.009089 ETOT= -17.748582 -17.766507 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.201156 logg= -0.007140 ETOT= -17.775899 -17.787658 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201155 logg= -0.007140 ETOT= -17.775899 -17.787658 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200614 logg= -0.006737 ETOT= -17.780612 -17.791323 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=703 Density= 7.100474 logg= -0.003503 ETOT= -8.898897 -8.905576 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.200476 logg= -0.006800 ETOT= -17.787410 -17.798419 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.202638 logg= -0.008074 ETOT= -17.759722 -17.773893 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200496 logg= -0.007147 ETOT= -17.789133 -17.801370 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201146 logg= -0.007548 ETOT= -17.777434 -17.790305 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.201537 logg= -0.007580 ETOT= -17.771645 -17.784317 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201538 logg= -0.007580 ETOT= -17.771645 -17.784317 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201795 logg= -0.007856 ETOT= -17.770160 -17.783463 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.100674 logg= -0.003618 ETOT= -8.900530 -8.907847 Density= 7.100171 logg= -0.003273 ETOT= -8.891068 -8.895864 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=701 Density= 7.100315 logg= -0.003393 ETOT= -8.896676 -8.902512 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200585 logg= -0.007103 ETOT= -17.793811 -17.805859 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 14.200947 logg= -0.007143 ETOT= -17.778729 -17.790631 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200498 logg= -0.007147 ETOT= -17.789132 -17.801369 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202638 logg= -0.008074 ETOT= -17.759723 -17.773892 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100673 logg= -0.003618 ETOT= -8.900531 -8.907848 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.200551 logg= -0.006896 ETOT= -17.792313 -17.803650 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.202349 logg= -0.008022 ETOT= -17.763621 -17.777130 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100236 logg= -0.003322 ETOT= -8.894309 -8.899267 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200659 logg= -0.007152 ETOT= -17.783577 -17.795706 Density= 14.201147 logg= -0.007548 ETOT= -17.777433 -17.790305 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100319 logg= -0.003393 ETOT= -8.896674 -8.902509 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 3.550385 logg= -0.001835 ETOT= -4.450556 -4.454337 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=679 Density= 7.100193 logg= -0.003285 ETOT= -8.892257 -8.896824 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100200 logg= -0.003286 ETOT= -8.892258 -8.896821 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200727 logg= -0.007402 ETOT= -17.783781 -17.796559 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=692 Density= 14.202349 logg= -0.008022 ETOT= -17.763621 -17.777130 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201185 logg= -0.007182 ETOT= -17.799913 -17.814113 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 7.100240 logg= -0.003323 ETOT= -8.894307 -8.899264 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.203281 logg= -0.008422 ETOT= -17.756631 -17.772046 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Sum of eigenvalues= -10220.2238020597 eV TrLogG= -10227.4630772731 eV Ratio to renormalize= 0.999989424255 rho-rho_expected= 0.006345514159 nargs= 1 argi=dmft2.def 28) Finished k-point number 29 1 with #bands= 454 26) Finished k-point number 27 1 with #bands= 454 23) Finished k-point number 24 1 with #bands= 458 16) Finished k-point number 17 1 with #bands= 458 22) Finished k-point number 23 1 with #bands= 458 37) Finished k-point number 38 1 with #bands= 454 31) Finished k-point number 32 1 with #bands= 452 30) Finished k-point number 31 1 with #bands= 452 35) Finished k-point number 36 1 with #bands= 454 0) Finished k-point number 1 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 47) Finished k-point number 48 1 with #bands= 460 36) Finished k-point number 37 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 34) Finished k-point number 35 1 with #bands= 456 14) Finished k-point number 15 1 with #bands= 458 17) Finished k-point number 18 1 with #bands= 458 39) Finished k-point number 40 1 with #bands= 456 18) Finished k-point number 19 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 27) Finished k-point number 28 1 with #bands= 452 5) Finished k-point number 6 1 with #bands= 454 11) Finished k-point number 12 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 15) Finished k-point number 16 1 with #bands= 458 44) Finished k-point number 45 1 with #bands= 452 24) Finished k-point number 25 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 48) Finished k-point number 49 1 with #bands= 464 12) Finished k-point number 13 1 with #bands= 454 7) Finished k-point number 8 1 with #bands= 456 32) Finished k-point number 33 1 with #bands= 452 3) Finished k-point number 4 1 with #bands= 456 46) Finished k-point number 47 1 with #bands= 456 20) Finished k-point number 21 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 2) Finished k-point number 3 1 with #bands= 458 10) Finished k-point number 11 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 4) Finished k-point number 5 1 with #bands= 454 8) Finished k-point number 9 1 with #bands= 456 9) Finished k-point number 10 1 with #bands= 458 6) Finished k-point number 7 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 13) Finished k-point number 14 1 with #bands= 452 42) Finished k-point number 43 1 with #bands= 452 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745137240566199 0.745197961313313 0.760976738601386 0.760992849696324 0.760550825172245 0.760556443121776 5.152776639121236E-006 5.152776639121236E-006 -4.124504596839427E-004 0.745137256123483 0.745197961250350 0.760976734629199 0.760992838243377 0.760550823582951 0.760556444746107 -5.143973027223906E-006 -5.143973027223906E-006 -4.124462056686259E-004 0.745170119341827 0.745161123162314 0.760955201239111 0.761017344200522 0.760566700996418 0.760540983779126 5.207722048858534E-006 5.207722048858534E-006 -4.352175076180209E-004 0.745170108652058 0.745161126902369 0.760955201791250 0.761017351444672 0.760566698716179 0.760540986059553 -5.197156800929440E-006 -5.197156800929440E-006 -4.352213995766366E-004 0.745199163882363 0.745141352322025 0.760993337013488 0.760973872864265 0.760557219720546 0.760552237223347 4.356690800830288E-006 4.356690800830288E-006 -4.262220825718832E-004 0.745199129300705 0.745141308362295 0.760993355656574 0.760973930952112 0.760557223104005 0.760552233838204 -4.318780652940012E-006 -4.318780652940012E-006 -4.262573926802499E-004 0.745158905655199 0.745171864637549 0.761016305009522 0.760959387271650 0.760541556554944 0.760567287904732 2.963567068509357E-006 2.963567068509357E-006 -4.179352830741401E-004 0.745158911078042 0.745171865997893 0.761016308827169 0.760959376152683 0.760541562753128 0.760567281589722 -2.948307583646698E-006 -2.948307583646698E-006 -4.179349121228300E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200933 logg= -0.006644 ETOT= -17.780699 -17.791277 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201289 logg= -0.007043 ETOT= -17.778790 -17.790565 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.200875 logg= -0.007053 ETOT= -17.789176 -17.801287 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.200877 logg= -0.007053 ETOT= -17.789175 -17.801286 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.200869 logg= -0.006659 ETOT= -17.783217 -17.793921 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201201 logg= -0.006951 ETOT= -17.796853 -17.809692 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100322 logg= -0.003227 ETOT= -8.891115 -8.895849 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201489 logg= -0.007040 ETOT= -17.775966 -17.787596 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 3.550479 logg= -0.001812 ETOT= -4.450569 -4.454317 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.202714 logg= -0.007917 ETOT= -17.763672 -17.777043 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.200827 logg= -0.006707 ETOT= -17.787475 -17.798355 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201108 logg= -0.007304 ETOT= -17.783820 -17.796471 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=692 Density= 14.202999 logg= -0.007968 ETOT= -17.759776 -17.773805 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100658 logg= -0.003458 ETOT= -8.898926 -8.905538 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.200926 logg= -0.006643 ETOT= -17.780696 -17.791280 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201559 logg= -0.007093 ETOT= -17.799968 -17.814034 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=696 Density= 7.100400 logg= -0.003277 ETOT= -8.894349 -8.899240 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201291 logg= -0.007043 ETOT= -17.778790 -17.790564 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.200876 logg= -0.006660 ETOT= -17.783217 -17.793918 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.204265 logg= -0.008556 ETOT= -17.752602 -17.769034 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200912 logg= -0.006805 ETOT= -17.792372 -17.803579 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200967 logg= -0.007011 ETOT= -17.793856 -17.805775 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100493 logg= -0.003348 ETOT= -8.896709 -8.902477 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201198 logg= -0.006952 ETOT= -17.796855 -17.809693 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.200906 logg= -0.006805 ETOT= -17.792375 -17.803582 Density= 14.205299 logg= -0.008983 ETOT= -17.748662 -17.766440 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=684 Density= 14.202999 logg= -0.007968 ETOT= -17.759775 -17.773805 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.202126 logg= -0.007468 ETOT= -17.768364 -17.780707 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.201487 logg= -0.007039 ETOT= -17.775965 -17.787596 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 7.100315 logg= -0.003226 ETOT= -8.891112 -8.895852 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100656 logg= -0.003458 ETOT= -8.898928 -8.905539 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.201516 logg= -0.007447 ETOT= -17.777478 -17.790221 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=691 Density= 14.202125 logg= -0.007468 ETOT= -17.768364 -17.780707 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.202714 logg= -0.007917 ETOT= -17.763672 -17.777043 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.200820 logg= -0.006707 ETOT= -17.787477 -17.798359 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201018 logg= -0.007055 ETOT= -17.783629 -17.795632 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.202164 logg= -0.007753 ETOT= -17.770207 -17.783377 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100356 logg= -0.003241 ETOT= -8.892303 -8.896802 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201897 logg= -0.007477 ETOT= -17.771696 -17.784237 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201517 logg= -0.007447 ETOT= -17.777478 -17.790220 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100489 logg= -0.003348 ETOT= -8.896711 -8.902480 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.203638 logg= -0.008316 ETOT= -17.756689 -17.771961 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100860 logg= -0.003573 ETOT= -8.900559 -8.907809 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.201021 logg= -0.007055 ETOT= -17.783627 -17.795630 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201897 logg= -0.007477 ETOT= -17.771696 -17.784237 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.204266 logg= -0.008556 ETOT= -17.752602 -17.769034 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100860 logg= -0.003573 ETOT= -8.900558 -8.907808 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 7.100350 logg= -0.003240 ETOT= -8.892302 -8.896805 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100405 logg= -0.003277 ETOT= -8.894348 -8.899238 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Sum of eigenvalues= -10220.2585773250 eV TrLogG= -10227.4219788916 eV Ratio to renormalize= 0.999964620571 rho-rho_expected= 0.021228408472 nargs= 1 argi=dmft2.def 29) Finished k-point number 30 1 with #bands= 452 26) Finished k-point number 27 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 22) Finished k-point number 23 1 with #bands= 458 28) Finished k-point number 29 1 with #bands= 454 27) Finished k-point number 28 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 36) Finished k-point number 37 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 37) Finished k-point number 38 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 34) Finished k-point number 35 1 with #bands= 456 23) Finished k-point number 24 1 with #bands= 458 21) Finished k-point number 22 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 5) Finished k-point number 6 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 35) Finished k-point number 36 1 with #bands= 454 20) Finished k-point number 21 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 24) Finished k-point number 25 1 with #bands= 454 31) Finished k-point number 32 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 30) Finished k-point number 31 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 2) Finished k-point number 3 1 with #bands= 458 1) Finished k-point number 2 1 with #bands= 456 32) Finished k-point number 33 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 4) Finished k-point number 5 1 with #bands= 454 15) Finished k-point number 16 1 with #bands= 458 43) Finished k-point number 44 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 44) Finished k-point number 45 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 41) Finished k-point number 42 1 with #bands= 460 9) Finished k-point number 10 1 with #bands= 458 18) Finished k-point number 19 1 with #bands= 452 16) Finished k-point number 17 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 10) Finished k-point number 11 1 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745134996283513 0.745193468745146 0.760978250539352 0.760990483411862 0.760549811336870 0.760554243137206 3.221297649952331E-006 3.221297649952331E-006 -4.133755320174408E-004 0.745135021071107 0.745193474269886 0.760978232883069 0.760990471126353 0.760549812872085 0.760554241645693 -3.204445025772910E-006 -3.204445025772910E-006 -4.133794523140813E-004 0.745169308325474 0.745159875640941 0.760954465224123 0.761013533538714 0.760563108927323 0.760541351195724 5.446619735316771E-006 5.446619735316771E-006 -4.351028969671003E-004 0.745169304077690 0.745159882574755 0.760954458753127 0.761013537504786 0.760563117850415 0.760541342258467 -5.435418295839507E-006 -5.435418295839507E-006 -4.351076200503055E-004 0.745191218348563 0.745138846857128 0.760994543102237 0.760976532100760 0.760555105205807 0.760551169393951 1.811575180905304E-006 1.811575180905304E-006 -4.278927656600171E-004 0.745191186296780 0.745138764551525 0.760994566824688 0.760976622304872 0.760555104230100 0.760551170369816 -1.742437964167146E-006 -1.742437964167146E-006 -4.279268384110494E-004 0.745158396941953 0.745169088837177 0.761014259763063 0.760958375005263 0.760541258454053 0.760564383239481 4.986907269943020E-006 4.986907269943020E-006 -4.184085720025907E-004 0.745158400949618 0.745169088074641 0.761014262110706 0.760958370747629 0.760541266802786 0.760564374786880 -4.972027008130712E-006 -4.972027008130712E-006 -4.184083214677666E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200506 logg= -0.007247 ETOT= -17.783804 -17.796047 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200371 logg= -0.006850 ETOT= -17.783382 -17.794327 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100063 logg= -0.003321 ETOT= -8.891197 -8.896055 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200431 logg= -0.006834 ETOT= -17.780859 -17.791684 Density= 7.100244 logg= -0.003443 ETOT= -8.896791 -8.902680 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200347 logg= -0.007243 ETOT= -17.789361 -17.801710 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201002 logg= -0.007639 ETOT= -17.777653 -17.790637 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 14.201403 logg= -0.007671 ETOT= -17.771859 -17.784643 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100604 logg= -0.003667 ETOT= -8.900645 -8.908015 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=685 Density= 14.202510 logg= -0.008161 ETOT= -17.759933 -17.774209 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.203767 logg= -0.008747 ETOT= -17.752763 -17.769442 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200794 logg= -0.007236 ETOT= -17.778954 -17.790970 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200438 logg= -0.007200 ETOT= -17.794040 -17.806197 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.200509 logg= -0.007247 ETOT= -17.783802 -17.796045 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202215 logg= -0.008110 ETOT= -17.763835 -17.777452 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201655 logg= -0.007946 ETOT= -17.770377 -17.783791 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 3.550350 logg= -0.001859 ETOT= -4.450613 -4.454421 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.201402 logg= -0.007671 ETOT= -17.771859 -17.784643 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.204798 logg= -0.009173 ETOT= -17.748822 -17.766847 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=686 Density= 14.201003 logg= -0.007232 ETOT= -17.776122 -17.787996 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201004 logg= -0.007233 ETOT= -17.776123 -17.787995 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 7.100404 logg= -0.003552 ETOT= -8.899012 -8.905743 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=693 Density= 14.203767 logg= -0.008747 ETOT= -17.752763 -17.769442 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200315 logg= -0.006897 ETOT= -17.787647 -17.798767 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200687 logg= -0.007140 ETOT= -17.797027 -17.810105 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.202215 logg= -0.008110 ETOT= -17.763835 -17.777452 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100240 logg= -0.003443 ETOT= -8.896793 -8.902682 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100156 logg= -0.003372 ETOT= -8.894429 -8.899440 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200578 logg= -0.007496 ETOT= -17.784005 -17.796896 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=690 Density= 14.201643 logg= -0.007662 ETOT= -17.768519 -17.781106 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100105 logg= -0.003336 ETOT= -8.892386 -8.897005 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200797 logg= -0.007236 ETOT= -17.778953 -17.790969 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201046 logg= -0.007281 ETOT= -17.800141 -17.814447 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 14.200684 logg= -0.007140 ETOT= -17.797029 -17.810107 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 7.100070 logg= -0.003322 ETOT= -8.891199 -8.896052 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200401 logg= -0.006995 ETOT= -17.792544 -17.803991 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.100406 logg= -0.003552 ETOT= -8.899010 -8.905742 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=695 Density= 14.200349 logg= -0.007243 ETOT= -17.789359 -17.801709 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200323 logg= -0.006898 ETOT= -17.787644 -17.798763 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=703 Density= 14.201643 logg= -0.007662 ETOT= -17.768519 -17.781107 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.200438 logg= -0.006836 ETOT= -17.780863 -17.791681 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200396 logg= -0.006995 ETOT= -17.792548 -17.803994 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201003 logg= -0.007639 ETOT= -17.777653 -17.790637 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 14.203137 logg= -0.008508 ETOT= -17.756852 -17.772370 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100099 logg= -0.003335 ETOT= -8.892385 -8.897008 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100152 logg= -0.003372 ETOT= -8.894431 -8.899442 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200378 logg= -0.006851 ETOT= -17.783382 -17.794323 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.202510 logg= -0.008161 ETOT= -17.759933 -17.774209 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100604 logg= -0.003667 ETOT= -8.900644 -8.908014 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=683 Sum of eigenvalues= -10220.3549082346 eV TrLogG= -10227.6572347398 eV Ratio to renormalize= 1.000000064498 rho-rho_expected=-0.000038698770 nargs= 1 argi=dmft2.def 35) Finished k-point number 36 1 with #bands= 454 45) Finished k-point number 46 1 with #bands= 452 16) Finished k-point number 17 1 with #bands= 458 37) Finished k-point number 38 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 20) Finished k-point number 21 1 with #bands= 452 36) Finished k-point number 37 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 31) Finished k-point number 32 1 with #bands= 452 32) Finished k-point number 33 1 with #bands= 452 39) Finished k-point number 40 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 15) Finished k-point number 16 1 with #bands= 458 21) Finished k-point number 22 1 with #bands= 456 18) Finished k-point number 19 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 12) Finished k-point number 13 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 3) Finished k-point number 4 1 with #bands= 456 27) Finished k-point number 28 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 48) Finished k-point number 49 1 with #bands= 464 30) Finished k-point number 31 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 29) Finished k-point number 30 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 23) Finished k-point number 24 1 with #bands= 458 26) Finished k-point number 27 1 with #bands= 454 19) Finished k-point number 20 1 with #bands= 454 43) Finished k-point number 44 1 with #bands= 452 4) Finished k-point number 5 1 with #bands= 454 17) Finished k-point number 18 1 with #bands= 458 0) Finished k-point number 1 1 with #bands= 458 44) Finished k-point number 45 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 24) Finished k-point number 25 1 with #bands= 454 28) Finished k-point number 29 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 22) Finished k-point number 23 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 42) Finished k-point number 43 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 13) Finished k-point number 14 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 41) Finished k-point number 42 1 with #bands= 460 10) Finished k-point number 11 1 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745137446579550 0.745194628989042 0.760976902276624 0.760992555108431 0.760550548736024 0.760555556233930 4.771186017660239E-006 4.771186017660239E-006 -4.109045391486011E-004 0.745137455907762 0.745194625332198 0.760976900816996 0.760992550644963 0.760550547887609 0.760555557118679 -4.763246191635776E-006 -4.763246191635776E-006 -4.109071079141288E-004 0.745171215342131 0.745164115163369 0.760954482912554 0.761011491839783 0.760567223486882 0.760539293558389 4.612503549573865E-006 4.612503549573865E-006 -4.335941916991708E-004 0.745171201964984 0.745164119419257 0.760954488832170 0.761011496108089 0.760567222102033 0.760539294934442 -4.608913389666215E-006 -4.608913389666215E-006 -4.335934947988780E-004 0.745196421905131 0.745142995553222 0.760995715738487 0.760970277288402 0.760556103780277 0.760552130293260 5.067547790458043E-006 5.067547790458043E-006 -4.239071652510481E-004 0.745196398565863 0.745143015992701 0.760995686933452 0.760970304217472 0.760556103123984 0.760552130942016 -5.054631111465171E-006 -5.054631111465171E-006 -4.238990193660330E-004 0.745162658904725 0.745171629531346 0.761012129652537 0.760957408718467 0.760540343309948 0.760567273483956 4.425269952580730E-006 4.425269952580730E-006 -4.176016912571047E-004 0.745162669543966 0.745171637084923 0.761012135687799 0.760957383059647 0.760540351059524 0.760567265663746 -4.407829084837436E-006 -4.407829084837436E-006 -4.176051360864147E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200553 logg= -0.006762 ETOT= -17.780868 -17.791584 Density= 14.200503 logg= -0.006921 ETOT= -17.792555 -17.803901 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200782 logg= -0.007066 ETOT= -17.797041 -17.810018 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.200912 logg= -0.007164 ETOT= -17.778960 -17.790873 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200482 logg= -0.006777 ETOT= -17.783389 -17.794231 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200464 logg= -0.007170 ETOT= -17.789363 -17.801611 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200629 logg= -0.007174 ETOT= -17.783806 -17.795946 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100452 logg= -0.003515 ETOT= -8.899018 -8.905699 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201119 logg= -0.007161 ETOT= -17.776131 -17.787900 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200422 logg= -0.006824 ETOT= -17.787655 -17.798674 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.202349 logg= -0.008041 ETOT= -17.763834 -17.777347 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.200546 logg= -0.006761 ETOT= -17.780865 -17.791587 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200914 logg= -0.007164 ETOT= -17.778960 -17.790872 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200497 logg= -0.006921 ETOT= -17.792558 -17.803904 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201527 logg= -0.007600 ETOT= -17.771863 -17.784543 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.100119 logg= -0.003284 ETOT= -8.891198 -8.896007 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203280 logg= -0.008439 ETOT= -17.756845 -17.772260 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200547 logg= -0.007126 ETOT= -17.794047 -17.806103 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 7.100153 logg= -0.003298 ETOT= -8.892388 -8.896961 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100159 logg= -0.003299 ETOT= -8.892389 -8.896958 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201120 logg= -0.007162 ETOT= -17.776131 -17.787900 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200626 logg= -0.007174 ETOT= -17.783807 -17.795948 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100651 logg= -0.003630 ETOT= -8.900651 -8.907970 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=685 Density= 7.100288 logg= -0.003406 ETOT= -8.896800 -8.902638 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.204959 logg= -0.009103 ETOT= -17.748804 -17.766725 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.200785 logg= -0.007066 ETOT= -17.797039 -17.810016 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.200708 logg= -0.007424 ETOT= -17.784002 -17.796791 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=690 Density= 14.203915 logg= -0.008678 ETOT= -17.752752 -17.769328 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201762 logg= -0.007593 ETOT= -17.768527 -17.781011 Density= 7.100207 logg= -0.003335 ETOT= -8.894435 -8.899395 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200429 logg= -0.006824 ETOT= -17.787653 -17.798671 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.203915 logg= -0.008678 ETOT= -17.752752 -17.769328 Density= 14.201791 logg= -0.007875 ETOT= -17.770374 -17.783685 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100291 logg= -0.003405 ETOT= -8.896798 -8.902636 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=697 Density= 14.202641 logg= -0.008092 ETOT= -17.759934 -17.774106 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 3.550374 logg= -0.001841 ETOT= -4.450616 -4.454398 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=672 Density= 14.200466 logg= -0.007170 ETOT= -17.789362 -17.801610 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201133 logg= -0.007568 ETOT= -17.777652 -17.790533 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 7.100202 logg= -0.003335 ETOT= -8.894436 -8.899397 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200490 logg= -0.006778 ETOT= -17.783389 -17.794228 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201134 logg= -0.007568 ETOT= -17.777651 -17.790532 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=691 Density= 14.201527 logg= -0.007600 ETOT= -17.771862 -17.784543 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100450 logg= -0.003515 ETOT= -8.899019 -8.905700 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 7.100126 logg= -0.003285 ETOT= -8.891201 -8.896004 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100652 logg= -0.003629 ETOT= -8.900651 -8.907970 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.201762 logg= -0.007593 ETOT= -17.768527 -17.781011 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201142 logg= -0.007206 ETOT= -17.800154 -17.814358 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 14.202641 logg= -0.008092 ETOT= -17.759935 -17.774106 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202349 logg= -0.008040 ETOT= -17.763834 -17.777347 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Sum of eigenvalues= -10220.3574044902 eV TrLogG= -10227.6008649173 eV Ratio to renormalize= 0.999991758807 rho-rho_expected= 0.004944756691 nargs= 1 argi=dmft2.def 25) Finished k-point number 26 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 2) Finished k-point number 3 1 with #bands= 458 39) Finished k-point number 40 1 with #bands= 456 27) Finished k-point number 28 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 3) Finished k-point number 4 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 23) Finished k-point number 24 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 26) Finished k-point number 27 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 37) Finished k-point number 38 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 30) Finished k-point number 31 1 with #bands= 452 48) Finished k-point number 49 1 with #bands= 464 22) Finished k-point number 23 1 with #bands= 458 38) Finished k-point number 39 1 with #bands= 454 28) Finished k-point number 29 1 with #bands= 454 0) Finished k-point number 1 1 with #bands= 458 13) Finished k-point number 14 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 4) Finished k-point number 5 1 with #bands= 454 35) Finished k-point number 36 1 with #bands= 454 21) Finished k-point number 22 1 with #bands= 456 24) Finished k-point number 25 1 with #bands= 454 36) Finished k-point number 37 1 with #bands= 454 20) Finished k-point number 21 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 45) Finished k-point number 46 1 with #bands= 452 32) Finished k-point number 33 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 44) Finished k-point number 45 1 with #bands= 452 31) Finished k-point number 32 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 18) Finished k-point number 19 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 43) Finished k-point number 44 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 42) Finished k-point number 43 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 9) Finished k-point number 10 1 with #bands= 458 7) Finished k-point number 8 1 with #bands= 456 10) Finished k-point number 11 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 41) Finished k-point number 42 1 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745130784136960 0.745187158446078 0.760967741596614 0.760986208544468 0.760543631256427 0.760548396927849 5.130266364484805E-006 5.130266364484805E-006 -4.134646650553287E-004 0.745130789964328 0.745187157914439 0.760967736591376 0.760986209176411 0.760543631543094 0.760548396659910 -5.122852198161874E-006 -5.122852198161874E-006 -4.134657002461391E-004 0.745165759754789 0.745154485103801 0.760946446516677 0.761004363343288 0.760561406486508 0.760531035333423 3.649787029319790E-006 3.649787029319790E-006 -4.327971422625058E-004 0.745165757099137 0.745154480290991 0.760946450668274 0.761004367811366 0.760561406170964 0.760531035704362 -3.647431965048791E-006 -3.647431965048791E-006 -4.327993939485686E-004 0.745188010047987 0.745132971197479 0.760989184281617 0.760965355029785 0.760549533391816 0.760544655727134 5.370205859875147E-006 5.370205859875147E-006 -4.259336202086644E-004 0.745188007257451 0.745133003054714 0.760989165445225 0.760965341032770 0.760549551334691 0.760544637793750 -5.375434963518307E-006 -5.375434963518307E-006 -4.259385172768344E-004 0.745154210820277 0.745166293531547 0.761003747188518 0.760949462277035 0.760531907234165 0.760561669570513 2.137202949693986E-006 2.137202949693986E-006 -4.148549623509119E-004 0.745154208537482 0.745166285231544 0.761003760681334 0.760949457017831 0.760531907533281 0.760561669218780 -2.118748348646557E-006 -2.118748348646557E-006 -4.148619247455564E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200405 logg= -0.007152 ETOT= -17.789047 -17.801291 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.203832 logg= -0.008661 ETOT= -17.752451 -17.769029 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.204875 logg= -0.009087 ETOT= -17.748504 -17.766427 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=684 Density= 14.200420 logg= -0.006903 ETOT= -17.792252 -17.803598 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200701 logg= -0.007050 ETOT= -17.796739 -17.809718 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=703 Density= 14.200462 logg= -0.006741 ETOT= -17.780565 -17.791279 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201029 logg= -0.007141 ETOT= -17.775830 -17.787595 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201670 logg= -0.007573 ETOT= -17.768228 -17.780708 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201066 logg= -0.007550 ETOT= -17.777340 -17.790217 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 14.200396 logg= -0.006756 ETOT= -17.783084 -17.793924 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200704 logg= -0.007050 ETOT= -17.796737 -17.809717 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 7.100407 logg= -0.003507 ETOT= -8.898870 -8.905552 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.202553 logg= -0.008074 ETOT= -17.759635 -17.773808 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201670 logg= -0.007573 ETOT= -17.768228 -17.780708 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201027 logg= -0.007140 ETOT= -17.775829 -17.787596 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200407 logg= -0.007152 ETOT= -17.789045 -17.801290 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200455 logg= -0.006740 ETOT= -17.780562 -17.791282 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100242 logg= -0.003397 ETOT= -8.896651 -8.902490 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200831 logg= -0.007144 ETOT= -17.778654 -17.790563 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100405 logg= -0.003508 ETOT= -8.898871 -8.905553 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=693 Density= 7.100246 logg= -0.003397 ETOT= -8.896649 -8.902488 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200483 logg= -0.007110 ETOT= -17.793733 -17.805788 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.203199 logg= -0.008422 ETOT= -17.756542 -17.771959 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.202268 logg= -0.008023 ETOT= -17.763531 -17.777042 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.100605 logg= -0.003623 ETOT= -8.900505 -8.907825 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.200556 logg= -0.007155 ETOT= -17.783495 -17.795632 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=697 Density= 14.200559 logg= -0.007155 ETOT= -17.783494 -17.795631 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200829 logg= -0.007144 ETOT= -17.778655 -17.790564 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=699 Density= 7.100114 logg= -0.003289 ETOT= -8.892238 -8.896804 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200349 logg= -0.006805 ETOT= -17.787346 -17.798361 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 3.550351 logg= -0.001837 ETOT= -4.450543 -4.454326 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=672 Density= 7.100108 logg= -0.003288 ETOT= -8.892237 -8.896807 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200425 logg= -0.006903 ETOT= -17.792249 -17.803595 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.100162 logg= -0.003326 ETOT= -8.894285 -8.899246 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200404 logg= -0.006757 ETOT= -17.783084 -17.793921 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200342 logg= -0.006804 ETOT= -17.787349 -17.798365 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100073 logg= -0.003273 ETOT= -8.891047 -8.895852 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201065 logg= -0.007550 ETOT= -17.777340 -17.790217 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 7.100606 logg= -0.003623 ETOT= -8.900504 -8.907825 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.203832 logg= -0.008661 ETOT= -17.752451 -17.769029 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201444 logg= -0.007581 ETOT= -17.771559 -17.784235 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.200651 logg= -0.007406 ETOT= -17.783684 -17.796469 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=690 Density= 14.201718 logg= -0.007857 ETOT= -17.770066 -17.783372 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.202268 logg= -0.008023 ETOT= -17.763531 -17.777042 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.201054 logg= -0.007192 ETOT= -17.799858 -17.814065 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 7.100157 logg= -0.003325 ETOT= -8.894286 -8.899248 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201445 logg= -0.007581 ETOT= -17.771559 -17.784235 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202553 logg= -0.008074 ETOT= -17.759635 -17.773808 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100080 logg= -0.003275 ETOT= -8.891050 -8.895849 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Sum of eigenvalues= -10220.1825610775 eV TrLogG= -10227.4250623786 eV Ratio to renormalize= 0.999997496017 rho-rho_expected= 0.001502393788 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 454 38) Finished k-point number 39 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 37) Finished k-point number 38 1 with #bands= 454 1) Finished k-point number 2 1 with #bands= 456 31) Finished k-point number 32 1 with #bands= 452 39) Finished k-point number 40 1 with #bands= 456 28) Finished k-point number 29 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 2) Finished k-point number 3 1 with #bands= 458 32) Finished k-point number 33 1 with #bands= 452 4) Finished k-point number 5 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 36) Finished k-point number 37 1 with #bands= 454 35) Finished k-point number 36 1 with #bands= 454 30) Finished k-point number 31 1 with #bands= 452 48) Finished k-point number 49 1 with #bands= 464 14) Finished k-point number 15 1 with #bands= 458 9) Finished k-point number 10 1 with #bands= 458 0) Finished k-point number 1 1 with #bands= 458 6) Finished k-point number 7 1 with #bands= 452 29) Finished k-point number 30 1 with #bands= 452 25) Finished k-point number 26 1 with #bands= 452 27) Finished k-point number 28 1 with #bands= 452 33) Finished k-point number 34 1 with #bands= 456 17) Finished k-point number 18 1 with #bands= 458 45) Finished k-point number 46 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 23) Finished k-point number 24 1 with #bands= 458 10) Finished k-point number 11 1 with #bands= 458 47) Finished k-point number 48 1 with #bands= 460 12) Finished k-point number 13 1 with #bands= 454 42) Finished k-point number 43 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 20) Finished k-point number 21 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 26) Finished k-point number 27 1 with #bands= 454 24) Finished k-point number 25 1 with #bands= 454 41) Finished k-point number 42 1 with #bands= 460 19) Finished k-point number 20 1 with #bands= 454 18) Finished k-point number 19 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 40) Finished k-point number 41 1 with #bands= 460 7) Finished k-point number 8 1 with #bands= 456 44) Finished k-point number 45 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745127399525462 0.745187454583269 0.760966282675129 0.760981039020775 0.760541066218165 0.760547389458021 1.179189324976305E-006 1.179189324976305E-006 -4.116650398067788E-004 0.745127409167312 0.745187452776436 0.760966278876952 0.760981035924890 0.760541080137424 0.760547375568502 -1.172048798827900E-006 -1.172048798827900E-006 -4.116615495344930E-004 0.745162241751056 0.745152727199599 0.760942495029013 0.761004327072307 0.760556012205186 0.760532828348100 6.167656924957885E-006 6.167656924957885E-006 -4.335838643157869E-004 0.745162238027397 0.745152723115108 0.760942502556491 0.761004329221945 0.760556014952256 0.760532825607855 -6.159848744079936E-006 -6.159848744079936E-006 -4.335885883058926E-004 0.745188127949437 0.745130214293293 0.760982413093513 0.760965606690514 0.760548809224417 0.760541956574605 1.508863751134587E-006 1.508863751134587E-006 -4.268234376854596E-004 0.745188118756110 0.745130197238676 0.760982436527446 0.760965606317085 0.760548806302671 0.760541959518527 -1.484590220406894E-006 -1.484590220406894E-006 -4.268364937912983E-004 0.745151176132727 0.745165615901846 0.761002320700424 0.760945856499317 0.760533490036566 0.760556646078073 5.135834862789380E-006 5.135834862789380E-006 -4.170091426287910E-004 0.745151179821039 0.745165640103452 0.761002299250847 0.760945850781201 0.760533496736036 0.760556639280700 -5.111206270004774E-006 -5.111206270004774E-006 -4.170026101828488E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201382 logg= -0.006222 ETOT= -17.788534 -17.799696 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.204794 logg= -0.007731 ETOT= -17.751955 -17.767444 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201405 logg= -0.005972 ETOT= -17.791735 -17.801999 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201440 logg= -0.005809 ETOT= -17.780048 -17.789683 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.202679 logg= -0.006638 ETOT= -17.767698 -17.779091 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.201684 logg= -0.006119 ETOT= -17.796222 -17.808121 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 7.100899 logg= -0.003042 ETOT= -8.898611 -8.904753 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.101096 logg= -0.003157 ETOT= -8.900246 -8.907026 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.202443 logg= -0.006647 ETOT= -17.771034 -17.782625 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201447 logg= -0.005811 ETOT= -17.780052 -17.789681 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.202031 logg= -0.006208 ETOT= -17.775304 -17.785984 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.205811 logg= -0.008160 ETOT= -17.748027 -17.764862 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 7.100901 logg= -0.003042 ETOT= -8.898610 -8.904752 Density= 14.201328 logg= -0.005873 ETOT= -17.786832 -17.796765 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 3.550596 logg= -0.001605 ETOT= -4.450414 -4.453927 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.203548 logg= -0.007140 ETOT= -17.759115 -17.772201 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=695 Density= 14.203257 logg= -0.007089 ETOT= -17.763014 -17.775438 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201828 logg= -0.006212 ETOT= -17.778130 -17.788956 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.203548 logg= -0.007140 ETOT= -17.759115 -17.772201 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100738 logg= -0.002931 ETOT= -8.896390 -8.901690 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 7.100655 logg= -0.002860 ETOT= -8.894027 -8.898447 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201459 logg= -0.006179 ETOT= -17.793221 -17.804195 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.204795 logg= -0.007731 ETOT= -17.751955 -17.767444 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100560 logg= -0.002809 ETOT= -8.890795 -8.895056 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201410 logg= -0.005972 ETOT= -17.791732 -17.801996 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.202036 logg= -0.006261 ETOT= -17.799341 -17.812468 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=698 Density= 14.201543 logg= -0.006223 ETOT= -17.782977 -17.794031 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201382 logg= -0.005826 ETOT= -17.782569 -17.792325 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201627 logg= -0.006475 ETOT= -17.783172 -17.794875 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.201389 logg= -0.005827 ETOT= -17.782570 -17.792321 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201687 logg= -0.006119 ETOT= -17.796221 -17.808120 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 7.100741 logg= -0.002931 ETOT= -8.896389 -8.901688 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 7.101097 logg= -0.003157 ETOT= -8.900246 -8.907026 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.201384 logg= -0.006222 ETOT= -17.788533 -17.799695 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201826 logg= -0.006211 ETOT= -17.778131 -17.788957 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.202050 logg= -0.006617 ETOT= -17.776824 -17.788616 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.204172 logg= -0.007490 ETOT= -17.756038 -17.770367 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 7.100603 logg= -0.002824 ETOT= -8.891984 -8.896006 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100597 logg= -0.002823 ETOT= -8.891983 -8.896009 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202702 logg= -0.006925 ETOT= -17.769551 -17.781772 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=691 Density= 14.203257 logg= -0.007089 ETOT= -17.763014 -17.775438 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.202444 logg= -0.006647 ETOT= -17.771034 -17.782625 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=697 Density= 14.202030 logg= -0.006207 ETOT= -17.775303 -17.785985 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.202678 logg= -0.006638 ETOT= -17.767697 -17.779091 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201335 logg= -0.005874 ETOT= -17.786830 -17.796761 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100650 logg= -0.002860 ETOT= -8.894028 -8.898449 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201546 logg= -0.006223 ETOT= -17.782976 -17.794029 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202050 logg= -0.006617 ETOT= -17.776823 -17.788616 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.100566 logg= -0.002810 ETOT= -8.890798 -8.895053 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Sum of eigenvalues= -10219.8862277702 eV TrLogG= -10226.5054871339 eV Ratio to renormalize= 0.999928132630 rho-rho_expected= 0.043123520923 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 454 21) Finished k-point number 22 1 with #bands= 456 39) Finished k-point number 40 1 with #bands= 456 20) Finished k-point number 21 1 with #bands= 452 29) Finished k-point number 30 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 22) Finished k-point number 23 1 with #bands= 458 17) Finished k-point number 18 1 with #bands= 458 3) Finished k-point number 4 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 16) Finished k-point number 17 1 with #bands= 458 47) Finished k-point number 48 1 with #bands= 460 37) Finished k-point number 38 1 with #bands= 454 1) Finished k-point number 2 1 with #bands= 456 45) Finished k-point number 46 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 23) Finished k-point number 24 1 with #bands= 458 30) Finished k-point number 31 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 44) Finished k-point number 45 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 32) Finished k-point number 33 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 26) Finished k-point number 27 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 8) Finished k-point number 9 1 with #bands= 456 18) Finished k-point number 19 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 35) Finished k-point number 36 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 14) Finished k-point number 15 1 with #bands= 458 31) Finished k-point number 32 1 with #bands= 452 25) Finished k-point number 26 1 with #bands= 452 27) Finished k-point number 28 1 with #bands= 452 34) Finished k-point number 35 1 with #bands= 456 24) Finished k-point number 25 1 with #bands= 454 28) Finished k-point number 29 1 with #bands= 454 36) Finished k-point number 37 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 40) Finished k-point number 41 1 with #bands= 460 6) Finished k-point number 7 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 9) Finished k-point number 10 1 with #bands= 458 13) Finished k-point number 14 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 12) Finished k-point number 13 1 with #bands= 454 42) Finished k-point number 43 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745120266764214 0.745181814803187 0.760964686865024 0.760978370646867 0.760537225820521 0.760543149344858 1.397703841916444E-007 1.397703841916444E-007 -4.137364040430974E-004 0.745120254621000 0.745181814942563 0.760964682833271 0.760978387409891 0.760537229656038 0.760543145556420 -1.272900820874797E-007 -1.272900820874797E-007 -4.137332234759477E-004 0.745157733355721 0.745147918296219 0.760937485037710 0.760999974045292 0.760553037628900 0.760527688547551 2.774162139716828E-006 2.774162139716828E-006 -4.381888504679073E-004 0.745157742321048 0.745147908028264 0.760937495758993 0.760999961258993 0.760553035380086 0.760527690818658 -2.771387809484234E-006 -2.771387809484234E-006 -4.381833311464808E-004 0.745179952532032 0.745127009533367 0.760980287177871 0.760962716799724 0.760545199339023 0.760537946937269 1.571609114908072E-006 1.571609114908072E-006 -4.304801140522558E-004 0.745179935779726 0.745127060273853 0.760980242589574 0.760962713173320 0.760545201200657 0.760537945071249 -1.577903343246125E-006 -1.577903343246125E-006 -4.304889984039194E-004 0.745146423835443 0.745161113675206 0.760996406534258 0.760943148749063 0.760529378248081 0.760553101544354 1.814725380336176E-006 1.814725380336176E-006 -4.179545534458330E-004 0.745146635432710 0.745161068820240 0.760996384033867 0.760942966286092 0.760529379260072 0.760553100498328 -1.713705745446353E-006 -1.713705745446353E-006 -4.179761406173645E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200713 logg= -0.006634 ETOT= -17.780155 -17.790738 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200830 logg= -0.007047 ETOT= -17.783075 -17.795077 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200678 logg= -0.007046 ETOT= -17.788630 -17.800738 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200921 logg= -0.007297 ETOT= -17.783265 -17.795915 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=690 Density= 14.200760 logg= -0.007005 ETOT= -17.793318 -17.805236 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.204100 logg= -0.008549 ETOT= -17.752032 -17.768477 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.202548 logg= -0.007909 ETOT= -17.763102 -17.776479 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200698 logg= -0.006799 ETOT= -17.791838 -17.803047 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201960 logg= -0.007458 ETOT= -17.767793 -17.780138 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201304 logg= -0.007029 ETOT= -17.775405 -17.787037 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200660 logg= -0.006651 ETOT= -17.782676 -17.793378 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.205129 logg= -0.008977 ETOT= -17.748095 -17.765886 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.200613 logg= -0.006699 ETOT= -17.786937 -17.797814 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200680 logg= -0.007046 ETOT= -17.788629 -17.800737 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201339 logg= -0.007439 ETOT= -17.776917 -17.789659 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 14.202840 logg= -0.007960 ETOT= -17.759203 -17.773243 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100292 logg= -0.003274 ETOT= -8.894083 -8.898977 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100383 logg= -0.003345 ETOT= -8.896444 -8.902216 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202548 logg= -0.007909 ETOT= -17.763102 -17.776479 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200720 logg= -0.006635 ETOT= -17.780159 -17.790736 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100198 logg= -0.003222 ETOT= -8.890850 -8.895581 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201305 logg= -0.007029 ETOT= -17.775406 -17.787036 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200985 logg= -0.006947 ETOT= -17.796322 -17.809167 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.200703 logg= -0.006799 ETOT= -17.791835 -17.803044 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.100747 logg= -0.003572 ETOT= -8.900297 -8.907550 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.200983 logg= -0.006947 ETOT= -17.796324 -17.809169 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=703 Density= 14.201336 logg= -0.007090 ETOT= -17.799442 -17.813515 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 7.100549 logg= -0.003456 ETOT= -8.898662 -8.905277 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201959 logg= -0.007458 ETOT= -17.767793 -17.780138 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201340 logg= -0.007439 ETOT= -17.776916 -17.789659 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 14.204100 logg= -0.008549 ETOT= -17.752032 -17.768477 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100205 logg= -0.003223 ETOT= -8.890853 -8.895579 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201104 logg= -0.007034 ETOT= -17.778231 -17.790007 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100547 logg= -0.003456 ETOT= -8.898663 -8.905278 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=695 Density= 14.200667 logg= -0.006652 ETOT= -17.782676 -17.793374 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.203472 logg= -0.008309 ETOT= -17.756120 -17.771403 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200833 logg= -0.007047 ETOT= -17.783074 -17.795075 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.202839 logg= -0.007960 ETOT= -17.759203 -17.773244 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100385 logg= -0.003345 ETOT= -8.896442 -8.902214 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201727 logg= -0.007468 ETOT= -17.771129 -17.783670 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200620 logg= -0.006700 ETOT= -17.786935 -17.797811 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 3.550422 logg= -0.001812 ETOT= -4.450439 -4.454189 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.201727 logg= -0.007468 ETOT= -17.771129 -17.783670 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100296 logg= -0.003274 ETOT= -8.894082 -8.898975 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100242 logg= -0.003237 ETOT= -8.892039 -8.896532 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100236 logg= -0.003236 ETOT= -8.892038 -8.896535 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201993 logg= -0.007745 ETOT= -17.769641 -17.782812 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.201107 logg= -0.007034 ETOT= -17.778231 -17.790005 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100747 logg= -0.003572 ETOT= -8.900297 -8.907550 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Sum of eigenvalues= -10219.9420983753 eV TrLogG= -10227.1067077100 eV Ratio to renormalize= 0.999978185622 rho-rho_expected= 0.013088912047 nargs= 1 argi=dmft2.def 28) Finished k-point number 29 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 17) Finished k-point number 18 1 with #bands= 458 45) Finished k-point number 46 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 2) Finished k-point number 3 1 with #bands= 458 21) Finished k-point number 22 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 31) Finished k-point number 32 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 22) Finished k-point number 23 1 with #bands= 458 18) Finished k-point number 19 1 with #bands= 452 27) Finished k-point number 28 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 48) Finished k-point number 49 1 with #bands= 464 37) Finished k-point number 38 1 with #bands= 454 23) Finished k-point number 24 1 with #bands= 458 30) Finished k-point number 31 1 with #bands= 452 34) Finished k-point number 35 1 with #bands= 456 36) Finished k-point number 37 1 with #bands= 454 43) Finished k-point number 44 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 26) Finished k-point number 27 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 33) Finished k-point number 34 1 with #bands= 456 25) Finished k-point number 26 1 with #bands= 452 20) Finished k-point number 21 1 with #bands= 452 29) Finished k-point number 30 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 16) Finished k-point number 17 1 with #bands= 458 24) Finished k-point number 25 1 with #bands= 454 35) Finished k-point number 36 1 with #bands= 454 44) Finished k-point number 45 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 14) Finished k-point number 15 1 with #bands= 458 1) Finished k-point number 2 1 with #bands= 456 32) Finished k-point number 33 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 13) Finished k-point number 14 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 7) Finished k-point number 8 1 with #bands= 456 8) Finished k-point number 9 1 with #bands= 456 9) Finished k-point number 10 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745122559905535 0.745183406341936 0.760960478553165 0.760978043105660 0.760533393154436 0.760542420449962 1.196935189248604E-006 1.196935189248604E-006 -4.125192919967655E-004 0.745122574073075 0.745183421861183 0.760960461251497 0.760978032417915 0.760533392505543 0.760542421163908 -1.191961468796499E-006 -1.191961468796499E-006 -4.125283319338184E-004 0.745157260873057 0.745143438842035 0.760940801129996 0.761003531347587 0.760553236143946 0.760523312058206 6.253627021675911E-006 6.253627021675911E-006 -4.341402493172315E-004 0.745157243630890 0.745143429627906 0.760940800378637 0.761003556852214 0.760553238977628 0.760523309204199 -6.232155512051229E-006 -6.232155512051229E-006 -4.341297930062062E-004 0.745182086416843 0.745123431508933 0.760978855134485 0.760957328497719 0.760542078662729 0.760532461399766 1.958588822270155E-006 1.958588822270155E-006 -4.274997320046540E-004 0.745182090074933 0.745123431283322 0.760978857428783 0.760957321043715 0.760542077495945 0.760532462584462 -1.946731541026477E-006 -1.946731541026477E-006 -4.274979847944205E-004 0.745140668240833 0.745154322627893 0.761002681357926 0.760943462324220 0.760522050308605 0.760552165876911 6.584791689116979E-006 6.584791689116979E-006 -4.123925613710466E-004 0.745140663979429 0.745154323409924 0.761002680528980 0.760943466370821 0.760522056073745 0.760552160096790 -6.575527131489639E-006 -6.575527131489639E-006 -4.123949634157939E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201133 logg= -0.007108 ETOT= -17.778168 -17.790008 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201760 logg= -0.007546 ETOT= -17.771062 -17.783672 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200963 logg= -0.007011 ETOT= -17.796276 -17.809190 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=701 Density= 7.100542 logg= -0.003488 ETOT= -8.898635 -8.905285 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.202005 logg= -0.007537 ETOT= -17.767719 -17.780133 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.200726 logg= -0.007072 ETOT= -17.793284 -17.805268 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.200834 logg= -0.007119 ETOT= -17.783025 -17.795092 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200675 logg= -0.006720 ETOT= -17.782614 -17.793381 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201135 logg= -0.007109 ETOT= -17.778168 -17.790007 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.204117 logg= -0.008625 ETOT= -17.751968 -17.768490 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200655 logg= -0.007116 ETOT= -17.788594 -17.800767 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.205128 logg= -0.009052 ETOT= -17.748039 -17.765907 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 7.100383 logg= -0.003377 ETOT= -8.896413 -8.902220 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=693 Density= 14.200744 logg= -0.006705 ETOT= -17.780093 -17.790735 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.202878 logg= -0.008038 ETOT= -17.759130 -17.773245 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200683 logg= -0.006865 ETOT= -17.791790 -17.803066 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200620 logg= -0.006768 ETOT= -17.786880 -17.797823 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201315 logg= -0.007153 ETOT= -17.799394 -17.813536 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 14.202579 logg= -0.007987 ETOT= -17.763035 -17.776485 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201345 logg= -0.007105 ETOT= -17.775334 -17.787031 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=699 Density= 14.200961 logg= -0.007011 ETOT= -17.796278 -17.809191 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=701 Density= 14.201347 logg= -0.007105 ETOT= -17.775335 -17.787031 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200657 logg= -0.007116 ETOT= -17.788592 -17.800766 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201351 logg= -0.007515 ETOT= -17.776863 -17.789673 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.201761 logg= -0.007546 ETOT= -17.771062 -17.783672 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200613 logg= -0.006767 ETOT= -17.786882 -17.797827 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=703 Density= 14.200737 logg= -0.006704 ETOT= -17.780089 -17.790737 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200910 logg= -0.007371 ETOT= -17.783225 -17.795941 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.200688 logg= -0.006865 ETOT= -17.791787 -17.803063 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=703 Density= 7.100297 logg= -0.003306 ETOT= -8.894051 -8.898978 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202877 logg= -0.008038 ETOT= -17.759130 -17.773245 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100541 logg= -0.003488 ETOT= -8.898636 -8.905286 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100245 logg= -0.003270 ETOT= -8.892007 -8.896536 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200836 logg= -0.007120 ETOT= -17.783024 -17.795091 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.202579 logg= -0.007987 ETOT= -17.763035 -17.776485 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200682 logg= -0.006721 ETOT= -17.782614 -17.793378 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.202013 logg= -0.007822 ETOT= -17.769581 -17.782822 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 3.550416 logg= -0.001828 ETOT= -4.450427 -4.454194 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=682 Density= 7.100293 logg= -0.003306 ETOT= -8.894052 -8.898981 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100737 logg= -0.003603 ETOT= -8.900272 -8.907560 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 7.100380 logg= -0.003378 ETOT= -8.896415 -8.902222 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100239 logg= -0.003269 ETOT= -8.892006 -8.896538 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201352 logg= -0.007515 ETOT= -17.776863 -17.789672 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100207 logg= -0.003256 ETOT= -8.890822 -8.895583 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100200 logg= -0.003255 ETOT= -8.890819 -8.895585 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203495 logg= -0.008386 ETOT= -17.756054 -17.771414 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.204118 logg= -0.008625 ETOT= -17.751968 -17.768490 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100738 logg= -0.003603 ETOT= -8.900272 -8.907560 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.202004 logg= -0.007537 ETOT= -17.767719 -17.780134 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Sum of eigenvalues= -10219.9087084770 eV TrLogG= -10227.1128422454 eV Ratio to renormalize= 0.999977512792 rho-rho_expected= 0.013492627994 nargs= 1 argi=dmft2.def 35) Finished k-point number 36 1 with #bands= 454 37) Finished k-point number 38 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 36) Finished k-point number 37 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 31) Finished k-point number 32 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 45) Finished k-point number 46 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 33) Finished k-point number 34 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 2) Finished k-point number 3 1 with #bands= 458 39) Finished k-point number 40 1 with #bands= 456 18) Finished k-point number 19 1 with #bands= 452 30) Finished k-point number 31 1 with #bands= 452 20) Finished k-point number 21 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 43) Finished k-point number 44 1 with #bands= 452 29) Finished k-point number 30 1 with #bands= 452 25) Finished k-point number 26 1 with #bands= 452 32) Finished k-point number 33 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 9) Finished k-point number 10 1 with #bands= 458 38) Finished k-point number 39 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 47) Finished k-point number 48 1 with #bands= 460 26) Finished k-point number 27 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 23) Finished k-point number 24 1 with #bands= 458 27) Finished k-point number 28 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 4) Finished k-point number 5 1 with #bands= 454 10) Finished k-point number 11 1 with #bands= 458 19) Finished k-point number 20 1 with #bands= 454 42) Finished k-point number 43 1 with #bands= 452 16) Finished k-point number 17 1 with #bands= 458 8) Finished k-point number 9 1 with #bands= 456 44) Finished k-point number 45 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 24) Finished k-point number 25 1 with #bands= 454 28) Finished k-point number 29 1 with #bands= 454 0) Finished k-point number 1 1 with #bands= 458 14) Finished k-point number 15 1 with #bands= 458 12) Finished k-point number 13 1 with #bands= 454 40) Finished k-point number 41 1 with #bands= 460 41) Finished k-point number 42 1 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745147134751230 0.745210842557420 0.760985022718637 0.761007840814846 0.760562143632132 0.760568851927857 2.732158643480395E-006 2.732158643480395E-006 -4.133296465565636E-004 0.745147128006757 0.745210853807226 0.760985009708568 0.761007848643078 0.760562141749813 0.760568853837521 -2.729139924609890E-006 -2.729139924609890E-006 -4.133206027022409E-004 0.745186151233683 0.745171350460456 0.760968828157014 0.761023496174356 0.760576593091309 0.760554737793526 3.380506446925480E-006 3.380506446925480E-006 -4.332797281293637E-004 0.745186155324526 0.745171354245707 0.760968822393566 0.761023497133852 0.760576592725428 0.760554738123655 -3.378309995317473E-006 -3.378309995317473E-006 -4.332814664082719E-004 0.745211001216341 0.745150115414492 0.761008678639005 0.760986306980466 0.760569086273390 0.760565205695437 1.740250445427672E-006 1.740250445427672E-006 -4.262007858869935E-004 0.745211005536433 0.745150104601763 0.761008689763285 0.760986302879279 0.760569084838644 0.760565207144864 -1.728738893001862E-006 -1.728738893001862E-006 -4.261985709924847E-004 0.745174402113762 0.745191142314259 0.761022653028491 0.760966710691019 0.760555585563146 0.760578028241618 2.352162077287727E-006 2.352162077287727E-006 -4.116496353812413E-004 0.745174422155762 0.745191141718395 0.761022629170854 0.760966711183317 0.760555586710082 0.760578027071341 -2.327530633022123E-006 -2.327530633022123E-006 -4.116434676349902E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.199770 logg= -0.007495 ETOT= -17.790232 -17.802885 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.199838 logg= -0.007453 ETOT= -17.794927 -17.807385 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.199698 logg= -0.007151 ETOT= -17.788544 -17.799968 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200066 logg= -0.007394 ETOT= -17.797927 -17.811298 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.199950 logg= -0.007498 ETOT= -17.784662 -17.797210 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200907 logg= -0.007918 ETOT= -17.772676 -17.785766 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100092 logg= -0.003679 ETOT= -8.899463 -8.906341 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.199814 logg= -0.007086 ETOT= -17.781754 -17.792884 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.199704 logg= -0.007151 ETOT= -17.788542 -17.799965 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200064 logg= -0.007394 ETOT= -17.797929 -17.811299 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 7.099738 logg= -0.003449 ETOT= -8.891661 -8.896671 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 14.200455 logg= -0.007482 ETOT= -17.776974 -17.789153 Density= 14.202065 logg= -0.008404 ETOT= -17.760717 -17.775289 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.199772 logg= -0.007495 ETOT= -17.790231 -17.802884 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.199754 logg= -0.007103 ETOT= -17.784278 -17.795527 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200246 logg= -0.007486 ETOT= -17.779807 -17.792128 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202705 logg= -0.008747 ETOT= -17.757625 -17.773439 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200043 logg= -0.007746 ETOT= -17.784849 -17.798045 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.203345 logg= -0.008984 ETOT= -17.753528 -17.770502 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200495 logg= -0.007887 ETOT= -17.778479 -17.791768 Density= 14.203345 logg= -0.008984 ETOT= -17.753528 -17.770501 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200456 logg= -0.007482 ETOT= -17.776975 -17.789152 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.199821 logg= -0.007088 ETOT= -17.781758 -17.792881 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.100295 logg= -0.003793 ETOT= -8.901094 -8.908610 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=691 Density= 14.200495 logg= -0.007888 ETOT= -17.778479 -17.791768 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.199776 logg= -0.007248 ETOT= -17.793447 -17.805191 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201151 logg= -0.007909 ETOT= -17.769334 -17.782227 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.199947 logg= -0.007498 ETOT= -17.784663 -17.797211 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.204381 logg= -0.009404 ETOT= -17.749581 -17.767899 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.201151 logg= -0.007909 ETOT= -17.769334 -17.782227 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 7.099832 logg= -0.003499 ETOT= -8.894888 -8.900045 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.099921 logg= -0.003570 ETOT= -8.897248 -8.903284 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201760 logg= -0.008353 ETOT= -17.764625 -17.778543 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.202065 logg= -0.008404 ETOT= -17.760717 -17.775289 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.099777 logg= -0.003463 ETOT= -8.892846 -8.897620 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 14.199761 logg= -0.007104 ETOT= -17.784278 -17.795524 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.100090 logg= -0.003679 ETOT= -8.899464 -8.906342 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.099924 logg= -0.003570 ETOT= -8.897247 -8.903282 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=699 Density= 14.200243 logg= -0.007486 ETOT= -17.779807 -17.792129 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201760 logg= -0.008353 ETOT= -17.764625 -17.778543 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.099828 logg= -0.003499 ETOT= -8.894889 -8.900047 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.199781 logg= -0.007248 ETOT= -17.793444 -17.805189 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 3.550196 logg= -0.001922 ETOT= -4.450837 -4.454717 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=672 Density= 7.099731 logg= -0.003448 ETOT= -8.891658 -8.896674 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 7.100294 logg= -0.003793 ETOT= -8.901095 -8.908610 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=690 Density= 7.099771 logg= -0.003462 ETOT= -8.892845 -8.897623 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 14.200908 logg= -0.007918 ETOT= -17.772676 -17.785765 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201181 logg= -0.008191 ETOT= -17.771181 -17.784900 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 14.200426 logg= -0.007534 ETOT= -17.801041 -17.815638 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Sum of eigenvalues= -10220.8462095859 eV TrLogG= -10228.3215808835 eV Ratio to renormalize= 1.000039022585 rho-rho_expected=-0.023412637655 nargs= 1 argi=dmft2.def 47) Finished k-point number 48 1 with #bands= 460 23) Finished k-point number 24 1 with #bands= 458 28) Finished k-point number 29 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 33) Finished k-point number 34 1 with #bands= 456 30) Finished k-point number 31 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 5) Finished k-point number 6 1 with #bands= 454 0) Finished k-point number 1 1 with #bands= 458 27) Finished k-point number 28 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 25) Finished k-point number 26 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 31) Finished k-point number 32 1 with #bands= 452 35) Finished k-point number 36 1 with #bands= 454 37) Finished k-point number 38 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 22) Finished k-point number 23 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 3) Finished k-point number 4 1 with #bands= 456 26) Finished k-point number 27 1 with #bands= 454 10) Finished k-point number 11 1 with #bands= 458 2) Finished k-point number 3 1 with #bands= 458 38) Finished k-point number 39 1 with #bands= 454 19) Finished k-point number 20 1 with #bands= 454 15) Finished k-point number 16 1 with #bands= 458 9) Finished k-point number 10 1 with #bands= 458 24) Finished k-point number 25 1 with #bands= 454 40) Finished k-point number 41 1 with #bands= 460 16) Finished k-point number 17 1 with #bands= 458 44) Finished k-point number 45 1 with #bands= 452 42) Finished k-point number 43 1 with #bands= 452 48) Finished k-point number 49 1 with #bands= 464 36) Finished k-point number 37 1 with #bands= 454 32) Finished k-point number 33 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 34) Finished k-point number 35 1 with #bands= 456 18) Finished k-point number 19 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 13) Finished k-point number 14 1 with #bands= 452 20) Finished k-point number 21 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 21) Finished k-point number 22 1 with #bands= 456 8) Finished k-point number 9 1 with #bands= 456 43) Finished k-point number 44 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 6) Finished k-point number 7 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745131610059715 0.745190206824782 0.760969865041177 0.760992039421142 0.760544403686653 0.760555128398794 2.058082078829730E-006 2.058082078829730E-006 -4.183276483417998E-004 0.745131528371207 0.745190203912127 0.760969895950529 0.760992093807769 0.760544403567492 0.760555128599188 -2.089951459174751E-006 -2.089951459174751E-006 -4.183260000774071E-004 0.745166061591233 0.745152685084797 0.760952428038159 0.761011328405432 0.760562509866370 0.760537194709230 6.403927599757610E-006 6.403927599757610E-006 -4.357325222995179E-004 0.745166063610942 0.745152680997077 0.760952424079056 0.761011341315940 0.760562505933201 0.760537198573192 -6.383720288607334E-006 -6.383720288607334E-006 -4.357445098640993E-004 0.745189777448854 0.745133026518143 0.760994606428127 0.760974512075822 0.760557515345950 0.760546911419228 3.777742287101417E-006 3.777742287101417E-006 -4.303570094040641E-004 0.745189771487762 0.745133029543814 0.760994601755911 0.760974519163994 0.760557514581625 0.760546912186774 -3.767051011772335E-006 -3.767051011772335E-006 -4.303604318527108E-004 0.745152438323197 0.745167144834515 0.761012162489053 0.760958517324333 0.760539005887885 0.760564556648361 4.472213529547839E-006 4.472213529547839E-006 -4.173344581466083E-004 0.745152450311354 0.745167161994409 0.761012160285031 0.760958489417497 0.760539002013711 0.760564560539170 -4.440688013150873E-006 -4.440688013150873E-006 -4.173276732641406E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.199949 logg= -0.007486 ETOT= -17.789451 -17.802107 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100381 logg= -0.003788 ETOT= -8.900704 -8.908228 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.200020 logg= -0.007442 ETOT= -17.794143 -17.806607 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200399 logg= -0.007479 ETOT= -17.779043 -17.791366 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.199995 logg= -0.007076 ETOT= -17.780972 -17.792103 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200245 logg= -0.007383 ETOT= -17.797144 -17.810530 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.201274 logg= -0.007906 ETOT= -17.768593 -17.781489 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.201040 logg= -0.007915 ETOT= -17.771928 -17.785020 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 3.550239 logg= -0.001920 ETOT= -4.450642 -4.454527 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=678 Density= 7.099873 logg= -0.003457 ETOT= -8.892450 -8.897222 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202179 logg= -0.008406 ETOT= -17.759982 -17.774570 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.203470 logg= -0.008992 ETOT= -17.752788 -17.769782 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.203470 logg= -0.008992 ETOT= -17.752788 -17.769782 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.199936 logg= -0.007092 ETOT= -17.783495 -17.794745 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200243 logg= -0.007383 ETOT= -17.797145 -17.810531 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.201041 logg= -0.007915 ETOT= -17.771928 -17.785020 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.199942 logg= -0.007093 ETOT= -17.783495 -17.794742 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.099837 logg= -0.003443 ETOT= -8.891264 -8.896269 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 14.199963 logg= -0.007237 ETOT= -17.792659 -17.804412 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200604 logg= -0.007475 ETOT= -17.776215 -17.788394 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200603 logg= -0.007475 ETOT= -17.776215 -17.788395 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200647 logg= -0.007883 ETOT= -17.777719 -17.791011 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.202179 logg= -0.008406 ETOT= -17.759982 -17.774570 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100180 logg= -0.003673 ETOT= -8.899071 -8.905957 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100015 logg= -0.003564 ETOT= -8.896853 -8.902896 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=699 Density= 14.199880 logg= -0.007139 ETOT= -17.787760 -17.799186 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.099922 logg= -0.003493 ETOT= -8.894494 -8.899660 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200402 logg= -0.007479 ETOT= -17.779043 -17.791365 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.204518 logg= -0.009416 ETOT= -17.748835 -17.767177 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.201317 logg= -0.008190 ETOT= -17.770432 -17.784155 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 14.200118 logg= -0.007489 ETOT= -17.783889 -17.796438 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.199958 logg= -0.007237 ETOT= -17.792662 -17.804415 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200002 logg= -0.007077 ETOT= -17.780975 -17.792101 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100179 logg= -0.003674 ETOT= -8.899073 -8.905958 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201883 logg= -0.008355 ETOT= -17.763885 -17.777813 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.099868 logg= -0.003456 ETOT= -8.892449 -8.897224 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=701 Density= 14.199951 logg= -0.007486 ETOT= -17.789450 -17.802105 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200115 logg= -0.007489 ETOT= -17.783891 -17.796440 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.199886 logg= -0.007140 ETOT= -17.787758 -17.799182 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200647 logg= -0.007883 ETOT= -17.777719 -17.791010 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.100013 logg= -0.003564 ETOT= -8.896855 -8.902898 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200213 logg= -0.007739 ETOT= -17.784077 -17.797274 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.202828 logg= -0.008753 ETOT= -17.756886 -17.772719 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.099830 logg= -0.003442 ETOT= -8.891261 -8.896272 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=703 Density= 7.099926 logg= -0.003493 ETOT= -8.894493 -8.899658 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201883 logg= -0.008355 ETOT= -17.763885 -17.777813 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.100381 logg= -0.003788 ETOT= -8.900704 -8.908227 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=689 Density= 14.201273 logg= -0.007906 ETOT= -17.768593 -17.781489 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.200601 logg= -0.007523 ETOT= -17.800259 -17.814872 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Sum of eigenvalues= -10220.4052814146 eV TrLogG= -10227.8846582652 eV Ratio to renormalize= 1.000027801878 rho-rho_expected=-0.016680662901 nargs= 1 argi=dmft2.def 19) Finished k-point number 20 1 with #bands= 454 23) Finished k-point number 24 1 with #bands= 458 21) Finished k-point number 22 1 with #bands= 456 28) Finished k-point number 29 1 with #bands= 454 20) Finished k-point number 21 1 with #bands= 452 31) Finished k-point number 32 1 with #bands= 452 37) Finished k-point number 38 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 7) Finished k-point number 8 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 35) Finished k-point number 36 1 with #bands= 454 17) Finished k-point number 18 1 with #bands= 458 27) Finished k-point number 28 1 with #bands= 452 26) Finished k-point number 27 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 24) Finished k-point number 25 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 34) Finished k-point number 35 1 with #bands= 456 44) Finished k-point number 45 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 1) Finished k-point number 2 1 with #bands= 456 36) Finished k-point number 37 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 25) Finished k-point number 26 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 18) Finished k-point number 19 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 15) Finished k-point number 16 1 with #bands= 458 30) Finished k-point number 31 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 22) Finished k-point number 23 1 with #bands= 458 32) Finished k-point number 33 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 14) Finished k-point number 15 1 with #bands= 458 43) Finished k-point number 44 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 10) Finished k-point number 11 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 12) Finished k-point number 13 1 with #bands= 454 11) Finished k-point number 12 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745124751901121 0.745185803924493 0.760968192603278 0.760986267591406 0.760540733412763 0.760549800679148 3.150981258937941E-006 3.150981258937941E-006 -4.166111300685208E-004 0.745124751220075 0.745185804539938 0.760968197429928 0.760986264426326 0.760540733019432 0.760549801130514 -3.138721486341167E-006 -3.138721486341167E-006 -4.166098698336685E-004 0.745161868255898 0.745150596679713 0.760947918708110 0.761005302617120 0.760556685649790 0.760533974105446 7.684581227212174E-006 7.684581227212174E-006 -4.305047401391783E-004 0.745161874571349 0.745150601691818 0.760947914029150 0.761005296933434 0.760556681920711 0.760533977808911 -7.672290596170268E-006 -7.672290596170268E-006 -4.305044268637510E-004 0.745188821437259 0.745130672194388 0.760989161898415 0.760966461064233 0.760552594528189 0.760543291769352 5.832252217923818E-006 5.832252217923818E-006 -4.300574641240447E-004 0.745188817170720 0.745130682690548 0.760989159207740 0.760966456538193 0.760552597568529 0.760543288733500 -5.815543356739275E-006 -5.815543356739275E-006 -4.300571386962190E-004 0.745151285035639 0.745165710392570 0.761004514068882 0.760952741969311 0.760536063145676 0.760558881397953 7.635106793024904E-006 7.635106793024904E-006 -4.137417473977110E-004 0.745151286263078 0.745165703493257 0.761004519558796 0.760952743252973 0.760536067581560 0.760558877000083 -7.618635849566070E-006 -7.618635849566070E-006 -4.137435109514891E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200738 logg= -0.006752 ETOT= -17.782991 -17.793802 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200725 logg= -0.007148 ETOT= -17.788966 -17.801181 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201014 logg= -0.007041 ETOT= -17.796656 -17.809607 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 3.550427 logg= -0.001834 ETOT= -4.450522 -4.454298 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=678 Density= 14.201016 logg= -0.007040 ETOT= -17.796654 -17.809606 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.200675 logg= -0.006799 ETOT= -17.787259 -17.798247 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200681 logg= -0.006799 ETOT= -17.787257 -17.798243 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201197 logg= -0.007144 ETOT= -17.778548 -17.790430 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201827 logg= -0.007583 ETOT= -17.771443 -17.784095 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200801 logg= -0.006737 ETOT= -17.780468 -17.791159 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.202942 logg= -0.008077 ETOT= -17.759511 -17.773663 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202065 logg= -0.007575 ETOT= -17.768104 -17.780560 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 7.100760 logg= -0.003617 ETOT= -8.900462 -8.907769 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=685 Density= 14.201425 logg= -0.007551 ETOT= -17.777239 -17.790089 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201408 logg= -0.007141 ETOT= -17.775718 -17.787456 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200807 logg= -0.006738 ETOT= -17.780471 -17.791156 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200903 logg= -0.007153 ETOT= -17.783401 -17.795509 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100238 logg= -0.003272 ETOT= -8.891010 -8.895796 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100564 logg= -0.003502 ETOT= -8.898827 -8.905495 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=695 Density= 14.205208 logg= -0.009089 ETOT= -17.748407 -17.766314 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 7.100406 logg= -0.003392 ETOT= -8.896605 -8.902431 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200742 logg= -0.006895 ETOT= -17.792167 -17.803483 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.204190 logg= -0.008664 ETOT= -17.752342 -17.768902 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100409 logg= -0.003392 ETOT= -8.896603 -8.902429 Density= 14.204190 logg= -0.008664 ETOT= -17.752342 -17.768902 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201828 logg= -0.007583 ETOT= -17.771443 -17.784095 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.200745 logg= -0.006753 ETOT= -17.782992 -17.793799 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200727 logg= -0.007148 ETOT= -17.788965 -17.801180 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201426 logg= -0.007551 ETOT= -17.777238 -17.790089 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200906 logg= -0.007153 ETOT= -17.783400 -17.795508 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100566 logg= -0.003502 ETOT= -8.898825 -8.905494 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201407 logg= -0.007140 ETOT= -17.775717 -17.787456 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200791 logg= -0.007102 ETOT= -17.793657 -17.805683 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100321 logg= -0.003321 ETOT= -8.894241 -8.899189 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100231 logg= -0.003271 ETOT= -8.891007 -8.895798 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=701 Density= 14.202942 logg= -0.008077 ETOT= -17.759511 -17.773663 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100269 logg= -0.003285 ETOT= -8.892195 -8.896750 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201200 logg= -0.007144 ETOT= -17.778548 -17.790429 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200987 logg= -0.007405 ETOT= -17.783597 -17.796354 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 7.100760 logg= -0.003617 ETOT= -8.900463 -8.907769 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=686 Density= 7.100274 logg= -0.003285 ETOT= -8.892196 -8.896748 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100325 logg= -0.003321 ETOT= -8.894240 -8.899187 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202065 logg= -0.007575 ETOT= -17.768104 -17.780561 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.200746 logg= -0.006895 ETOT= -17.792164 -17.803481 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.202087 logg= -0.007860 ETOT= -17.769957 -17.783240 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.202648 logg= -0.008025 ETOT= -17.763414 -17.776904 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.202648 logg= -0.008025 ETOT= -17.763414 -17.776904 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.203566 logg= -0.008425 ETOT= -17.756430 -17.771827 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.201363 logg= -0.007181 ETOT= -17.799774 -17.813954 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Sum of eigenvalues= -10220.1258714706 eV TrLogG= -10227.3535293787 eV Ratio to renormalize= 0.999973024990 rho-rho_expected= 0.016185442328 nargs= 1 argi=dmft2.def 29) Finished k-point number 30 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 20) Finished k-point number 21 1 with #bands= 452 39) Finished k-point number 40 1 with #bands= 456 15) Finished k-point number 16 1 with #bands= 458 3) Finished k-point number 4 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 18) Finished k-point number 19 1 with #bands= 452 23) Finished k-point number 24 1 with #bands= 458 27) Finished k-point number 28 1 with #bands= 452 30) Finished k-point number 31 1 with #bands= 452 28) Finished k-point number 29 1 with #bands= 454 44) Finished k-point number 45 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 24) Finished k-point number 25 1 with #bands= 454 19) Finished k-point number 20 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 4) Finished k-point number 5 1 with #bands= 454 7) Finished k-point number 8 1 with #bands= 456 35) Finished k-point number 36 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 33) Finished k-point number 34 1 with #bands= 456 37) Finished k-point number 38 1 with #bands= 454 17) Finished k-point number 18 1 with #bands= 458 43) Finished k-point number 44 1 with #bands= 452 36) Finished k-point number 37 1 with #bands= 454 26) Finished k-point number 27 1 with #bands= 454 16) Finished k-point number 17 1 with #bands= 458 0) Finished k-point number 1 1 with #bands= 458 31) Finished k-point number 32 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 22) Finished k-point number 23 1 with #bands= 458 47) Finished k-point number 48 1 with #bands= 460 12) Finished k-point number 13 1 with #bands= 454 32) Finished k-point number 33 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 34) Finished k-point number 35 1 with #bands= 456 41) Finished k-point number 42 1 with #bands= 460 40) Finished k-point number 41 1 with #bands= 460 11) Finished k-point number 12 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 13) Finished k-point number 14 1 with #bands= 452 42) Finished k-point number 43 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 9) Finished k-point number 10 1 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745142453529724 0.745202835704405 0.760974013312984 0.760991211736846 0.760554524188399 0.760558982925531 4.124521500622203E-006 4.124521500622203E-006 -4.154417245815053E-004 0.745142448101700 0.745202834085377 0.760974010696002 0.760991221269263 0.760554523424610 0.760558983724910 -4.111940311130266E-006 -4.111940311130266E-006 -4.154422150272524E-004 0.745175392863642 0.745162960569118 0.760954945356731 0.761015447848204 0.760570287796534 0.760543517287628 4.643431920467340E-006 4.643431920467340E-006 -4.335843732975926E-004 0.745175427969631 0.745162969210614 0.760954941550451 0.761015412959652 0.760570285653555 0.760543519409713 -4.651537113819631E-006 -4.651537113819631E-006 -4.335921924950566E-004 0.745203810376354 0.745146613640986 0.760991563526637 0.760973346260130 0.760560911454745 0.760555688922532 5.899245116339555E-006 5.899245116339555E-006 -4.272768724383778E-004 0.745203809137481 0.745146615952981 0.760991565477835 0.760973343174798 0.760560914075464 0.760555686298213 -5.885935473107294E-006 -5.885935473107294E-006 -4.272755099664882E-004 0.745159963844276 0.745174820271910 0.761017302021886 0.760961433981165 0.760545807050615 0.760570113073373 3.248766429683844E-006 3.248766429683844E-006 -4.143110667615492E-004 0.745159959173008 0.745174827938512 0.761017304998201 0.760961428919343 0.760545808309274 0.760570111743060 -3.235820734726553E-006 -3.235820734726553E-006 -4.143113473599614E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201596 logg= -0.006876 ETOT= -17.775928 -17.787358 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100506 logg= -0.003263 ETOT= -8.896708 -8.902378 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200981 logg= -0.006474 ETOT= -17.780682 -17.791067 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.202258 logg= -0.007309 ETOT= -17.768312 -17.780458 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201106 logg= -0.006892 ETOT= -17.783603 -17.795404 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200940 logg= -0.006889 ETOT= -17.789162 -17.801071 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.202024 logg= -0.007318 ETOT= -17.771648 -17.783991 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100668 logg= -0.003374 ETOT= -8.898928 -8.905441 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100320 logg= -0.003140 ETOT= -8.891116 -8.895756 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=699 Density= 14.204386 logg= -0.008402 ETOT= -17.752555 -17.768796 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.201226 logg= -0.006784 ETOT= -17.796855 -17.809496 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201631 logg= -0.007288 ETOT= -17.777439 -17.789982 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.200923 logg= -0.006491 ETOT= -17.783204 -17.793708 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.202290 logg= -0.007596 ETOT= -17.770161 -17.783134 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.202258 logg= -0.007309 ETOT= -17.768312 -17.780458 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201200 logg= -0.007144 ETOT= -17.783793 -17.796243 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201630 logg= -0.007288 ETOT= -17.777440 -17.789982 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.201594 logg= -0.006876 ETOT= -17.775927 -17.787359 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.204386 logg= -0.008402 ETOT= -17.752555 -17.768797 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.205403 logg= -0.008829 ETOT= -17.748623 -17.766213 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 7.100867 logg= -0.003490 ETOT= -8.900563 -8.907714 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.200987 logg= -0.006476 ETOT= -17.780686 -17.791065 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200930 logg= -0.006492 ETOT= -17.783205 -17.793705 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201224 logg= -0.006784 ETOT= -17.796856 -17.809497 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.203138 logg= -0.007812 ETOT= -17.759720 -17.773555 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201392 logg= -0.006880 ETOT= -17.778755 -17.790329 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100414 logg= -0.003192 ETOT= -8.894348 -8.899141 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100364 logg= -0.003155 ETOT= -8.892304 -8.896705 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202847 logg= -0.007761 ETOT= -17.763620 -17.776797 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 3.550481 logg= -0.001771 ETOT= -4.450572 -4.454271 Density= 14.201390 logg= -0.006880 ETOT= -17.778755 -17.790330 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100503 logg= -0.003263 ETOT= -8.896709 -8.902380 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=697 Density= 14.200945 logg= -0.006637 ETOT= -17.792370 -17.803378 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.202847 logg= -0.007761 ETOT= -17.763620 -17.776797 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200868 logg= -0.006538 ETOT= -17.787467 -17.798148 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201576 logg= -0.006926 ETOT= -17.799975 -17.813844 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=698 Density= 7.100326 logg= -0.003142 ETOT= -8.891119 -8.895753 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200941 logg= -0.006889 ETOT= -17.789161 -17.801070 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200949 logg= -0.006637 ETOT= -17.792368 -17.803376 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201008 logg= -0.006845 ETOT= -17.793852 -17.805572 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200874 logg= -0.006539 ETOT= -17.787465 -17.798145 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.203764 logg= -0.008162 ETOT= -17.756640 -17.771720 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 7.100418 logg= -0.003192 ETOT= -8.894347 -8.899139 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100667 logg= -0.003374 ETOT= -8.898929 -8.905442 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 7.100867 logg= -0.003490 ETOT= -8.900563 -8.907714 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 7.100359 logg= -0.003154 ETOT= -8.892303 -8.896707 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=699 Density= 14.201109 logg= -0.006892 ETOT= -17.783602 -17.795403 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.202025 logg= -0.007318 ETOT= -17.771648 -17.783991 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.203138 logg= -0.007812 ETOT= -17.759720 -17.773556 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Sum of eigenvalues= -10220.2446202418 eV TrLogG= -10227.2943393706 eV Ratio to renormalize= 0.999959093192 rho-rho_expected= 0.024545088713 nargs= 1 argi=dmft2.def 35) Finished k-point number 36 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 34) Finished k-point number 35 1 with #bands= 456 33) Finished k-point number 34 1 with #bands= 456 25) Finished k-point number 26 1 with #bands= 452 5) Finished k-point number 6 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 2) Finished k-point number 3 1 with #bands= 458 16) Finished k-point number 17 1 with #bands= 458 45) Finished k-point number 46 1 with #bands= 452 31) Finished k-point number 32 1 with #bands= 452 36) Finished k-point number 37 1 with #bands= 454 37) Finished k-point number 38 1 with #bands= 454 30) Finished k-point number 31 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 24) Finished k-point number 25 1 with #bands= 454 29) Finished k-point number 30 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 22) Finished k-point number 23 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 47) Finished k-point number 48 1 with #bands= 460 21) Finished k-point number 22 1 with #bands= 456 48) Finished k-point number 49 1 with #bands= 464 19) Finished k-point number 20 1 with #bands= 454 32) Finished k-point number 33 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 20) Finished k-point number 21 1 with #bands= 452 4) Finished k-point number 5 1 with #bands= 454 42) Finished k-point number 43 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 17) Finished k-point number 18 1 with #bands= 458 0) Finished k-point number 1 1 with #bands= 458 23) Finished k-point number 24 1 with #bands= 458 18) Finished k-point number 19 1 with #bands= 452 27) Finished k-point number 28 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 11) Finished k-point number 12 1 with #bands= 452 26) Finished k-point number 27 1 with #bands= 454 28) Finished k-point number 29 1 with #bands= 454 43) Finished k-point number 44 1 with #bands= 452 44) Finished k-point number 45 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 6) Finished k-point number 7 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 13) Finished k-point number 14 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 41) Finished k-point number 42 1 with #bands= 460 8) Finished k-point number 9 1 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745127777345452 0.745189615980660 0.760963664201186 0.760987410163012 0.760545152397551 0.760549097955785 6.048089953005256E-006 6.048089953005256E-006 -4.200334639448548E-004 0.745127773926986 0.745189611257064 0.760963665296836 0.760987416157804 0.760545154995276 0.760549095400271 -6.034863374336744E-006 -6.034863374336744E-006 -4.200330216803993E-004 0.745168456933905 0.745158656702623 0.760940443211104 0.761000890634296 0.760560298762573 0.760534267366774 4.378694480324131E-006 4.378694480324131E-006 -4.339179114553888E-004 0.745168458261071 0.745158664314986 0.760940434517941 0.761000889703779 0.760560302003283 0.760534264064463 -4.366592177318584E-006 -4.366592177318584E-006 -4.339168682802533E-004 0.745189317241445 0.745131269659458 0.760989736061266 0.760962861570845 0.760550482525588 0.760546589246045 6.442487338403984E-006 6.442487338403984E-006 -4.299375352601056E-004 0.745189319249483 0.745131272918063 0.760989731539388 0.760962860711379 0.760550481444909 0.760546590303858 -6.430708281256280E-006 -6.430708281256280E-006 -4.299352177943683E-004 0.745157922003084 0.745173401876646 0.760999504722337 0.760942550861068 0.760535708699779 0.760560710926772 8.967381943471143E-006 8.967381943471143E-006 -4.129342658277498E-004 0.745157918445943 0.745173413682212 0.760999510215830 0.760942538242732 0.760535712438172 0.760560707159385 -8.948770861824012E-006 -8.948770861824012E-006 -4.129119439853942E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 7.100219 logg= -0.003276 ETOT= -8.890958 -8.895740 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200834 logg= -0.007114 ETOT= -17.793506 -17.805529 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.201039 logg= -0.007055 ETOT= -17.796520 -17.809469 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.200774 logg= -0.007157 ETOT= -17.788809 -17.801021 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.200723 logg= -0.006759 ETOT= -17.782872 -17.793679 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201412 logg= -0.007143 ETOT= -17.775584 -17.787318 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200776 logg= -0.006743 ETOT= -17.780353 -17.791041 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200938 logg= -0.007159 ETOT= -17.783251 -17.795355 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202098 logg= -0.007577 ETOT= -17.767958 -17.780406 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=699 Density= 14.200763 logg= -0.006907 ETOT= -17.792030 -17.803343 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201414 logg= -0.007144 ETOT= -17.775585 -17.787317 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100315 logg= -0.003327 ETOT= -8.894184 -8.899129 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202994 logg= -0.008083 ETOT= -17.759359 -17.773503 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.201214 logg= -0.007147 ETOT= -17.778408 -17.790286 Density= 14.201480 logg= -0.007555 ETOT= -17.777077 -17.789922 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.204251 logg= -0.008676 ETOT= -17.752191 -17.768742 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.100572 logg= -0.003510 ETOT= -8.898763 -8.905430 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.100773 logg= -0.003626 ETOT= -8.900395 -8.907701 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.200782 logg= -0.006744 ETOT= -17.780357 -17.791038 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201869 logg= -0.007586 ETOT= -17.771290 -17.783935 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=697 Density= 14.202994 logg= -0.008083 ETOT= -17.759359 -17.773502 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.205267 logg= -0.009106 ETOT= -17.748260 -17.766160 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=684 Density= 14.202705 logg= -0.008031 ETOT= -17.763257 -17.776738 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 3.550435 logg= -0.001839 ETOT= -4.450488 -4.454264 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.200776 logg= -0.007157 ETOT= -17.788808 -17.801020 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200677 logg= -0.006807 ETOT= -17.787132 -17.798114 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200758 logg= -0.006907 ETOT= -17.792033 -17.803346 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.204251 logg= -0.008676 ETOT= -17.752191 -17.768742 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201041 logg= -0.007055 ETOT= -17.796518 -17.809467 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 7.100258 logg= -0.003290 ETOT= -8.892143 -8.896691 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100773 logg= -0.003626 ETOT= -8.900396 -8.907701 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=686 Density= 14.201481 logg= -0.007555 ETOT= -17.777077 -17.789922 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.202098 logg= -0.007577 ETOT= -17.767958 -17.780406 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.201216 logg= -0.007147 ETOT= -17.778408 -17.790284 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201049 logg= -0.007411 ETOT= -17.783431 -17.796184 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 7.100408 logg= -0.003398 ETOT= -8.896543 -8.902367 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 7.100212 logg= -0.003275 ETOT= -8.890955 -8.895742 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100405 logg= -0.003399 ETOT= -8.896544 -8.902369 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 7.100573 logg= -0.003510 ETOT= -8.898762 -8.905429 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.100312 logg= -0.003326 ETOT= -8.894185 -8.899131 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202148 logg= -0.007865 ETOT= -17.769796 -17.783071 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100253 logg= -0.003289 ETOT= -8.892142 -8.896693 Density= 14.201389 logg= -0.007198 ETOT= -17.799639 -17.813817 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=698 Density= 14.200941 logg= -0.007159 ETOT= -17.783249 -17.795354 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201869 logg= -0.007586 ETOT= -17.771290 -17.783935 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=697 Density= 14.200730 logg= -0.006760 ETOT= -17.782873 -17.793676 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200682 logg= -0.006807 ETOT= -17.787130 -17.798111 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.203628 logg= -0.008434 ETOT= -17.756276 -17.771664 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.202705 logg= -0.008031 ETOT= -17.763257 -17.776738 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Sum of eigenvalues= -10220.0453946585 eV TrLogG= -10227.2699358217 eV Ratio to renormalize= 0.999971213174 rho-rho_expected= 0.017272592660 nargs= 1 argi=dmft2.def 33) Finished k-point number 34 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 22) Finished k-point number 23 1 with #bands= 458 27) Finished k-point number 28 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 28) Finished k-point number 29 1 with #bands= 454 19) Finished k-point number 20 1 with #bands= 454 24) Finished k-point number 25 1 with #bands= 454 1) Finished k-point number 2 1 with #bands= 456 18) Finished k-point number 19 1 with #bands= 452 25) Finished k-point number 26 1 with #bands= 452 20) Finished k-point number 21 1 with #bands= 452 23) Finished k-point number 24 1 with #bands= 458 26) Finished k-point number 27 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 37) Finished k-point number 38 1 with #bands= 454 36) Finished k-point number 37 1 with #bands= 454 35) Finished k-point number 36 1 with #bands= 454 29) Finished k-point number 30 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 46) Finished k-point number 47 1 with #bands= 456 39) Finished k-point number 40 1 with #bands= 456 6) Finished k-point number 7 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 3) Finished k-point number 4 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 44) Finished k-point number 45 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 15) Finished k-point number 16 1 with #bands= 458 43) Finished k-point number 44 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 4) Finished k-point number 5 1 with #bands= 454 16) Finished k-point number 17 1 with #bands= 458 0) Finished k-point number 1 1 with #bands= 458 32) Finished k-point number 33 1 with #bands= 452 31) Finished k-point number 32 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 30) Finished k-point number 31 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 41) Finished k-point number 42 1 with #bands= 460 40) Finished k-point number 41 1 with #bands= 460 7) Finished k-point number 8 1 with #bands= 456 13) Finished k-point number 14 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 11) Finished k-point number 12 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745138949764401 0.745198457850282 0.760977132087653 0.760992299506502 0.760553825119003 0.760556520305553 3.523606958413151E-006 3.523606958413151E-006 -4.163208909930311E-004 0.745138950473099 0.745198458746862 0.760977119943734 0.760992311549985 0.760553800229232 0.760556545229475 -3.517457357612462E-006 -3.517457357612462E-006 -4.163310827956006E-004 0.745175452167615 0.745162086631436 0.760955491816011 0.761013411266363 0.760566998760938 0.760543722941263 6.921279782296256E-006 6.921279782296256E-006 -4.324634914130819E-004 0.745175453572323 0.745162074689843 0.760955501780088 0.761013412922848 0.760567000610802 0.760543721093058 -6.913057529727086E-006 -6.913057529727086E-006 -4.324599063510471E-004 0.745199380979165 0.745144250099791 0.760993267076996 0.760976059151349 0.760558428365214 0.760555229750733 2.999548654777389E-006 2.999548654777389E-006 -4.282639271992944E-004 0.745199380000933 0.745144253444452 0.760993274462590 0.760976051206510 0.760558427442858 0.760555230692275 -2.970603849688766E-006 -2.970603849688766E-006 -4.282662830776860E-004 0.745159880264815 0.745176065394354 0.761014213200863 0.760961258468586 0.760544629921740 0.760568391165942 6.135054904154109E-006 6.135054904154109E-006 -4.148907589596319E-004 0.745159897273569 0.745176055437620 0.761014208852762 0.760961253073049 0.760544631776200 0.760568389262481 -6.115677253895078E-006 -6.115677253895078E-006 -4.148882785509648E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200758 logg= -0.006980 ETOT= -17.797038 -17.809914 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.200498 logg= -0.007081 ETOT= -17.789323 -17.801471 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200674 logg= -0.007082 ETOT= -17.783755 -17.795796 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200553 logg= -0.007039 ETOT= -17.794024 -17.805980 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200965 logg= -0.007070 ETOT= -17.778903 -17.790717 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100263 logg= -0.003361 ETOT= -8.896805 -8.902593 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201874 logg= -0.007497 ETOT= -17.768433 -17.780819 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.200499 logg= -0.007081 ETOT= -17.789322 -17.801469 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100433 logg= -0.003472 ETOT= -8.899020 -8.905651 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=693 Density= 14.200512 logg= -0.006668 ETOT= -17.780866 -17.791483 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.204099 logg= -0.008591 ETOT= -17.752619 -17.769103 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.204099 logg= -0.008591 ETOT= -17.752619 -17.769103 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100432 logg= -0.003472 ETOT= -8.899021 -8.905652 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=693 Density= 7.100637 logg= -0.003588 ETOT= -8.900652 -8.907921 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=682 Density= 3.550368 logg= -0.001820 ETOT= -4.450616 -4.454374 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=679 Density= 14.202499 logg= -0.007949 ETOT= -17.763720 -17.777137 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.200505 logg= -0.006666 ETOT= -17.780863 -17.791485 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200402 logg= -0.006732 ETOT= -17.787647 -17.798563 Density= 14.200788 logg= -0.007334 ETOT= -17.783933 -17.796623 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=703 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.205154 logg= -0.009019 ETOT= -17.748664 -17.766497 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.201237 logg= -0.007477 ETOT= -17.777567 -17.790349 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=695 Density= 14.200449 logg= -0.006683 ETOT= -17.783384 -17.794126 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.202499 logg= -0.007949 ETOT= -17.763720 -17.777137 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100109 logg= -0.003251 ETOT= -8.892403 -8.896924 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200963 logg= -0.007070 ETOT= -17.778903 -17.790718 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100265 logg= -0.003361 ETOT= -8.896803 -8.902591 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202798 logg= -0.008000 ETOT= -17.759816 -17.773892 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200760 logg= -0.006979 ETOT= -17.797036 -17.809913 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 7.100637 logg= -0.003588 ETOT= -8.900652 -8.907921 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=681 Density= 14.200455 logg= -0.006684 ETOT= -17.783385 -17.794123 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201168 logg= -0.007065 ETOT= -17.776073 -17.787745 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 7.100074 logg= -0.003238 ETOT= -8.891220 -8.895972 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201170 logg= -0.007065 ETOT= -17.776074 -17.787744 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201874 logg= -0.007497 ETOT= -17.768433 -17.780819 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=699 Density= 14.203453 logg= -0.008350 ETOT= -17.756718 -17.772039 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200676 logg= -0.007082 ETOT= -17.783754 -17.795795 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200396 logg= -0.006732 ETOT= -17.787648 -17.798566 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=703 Density= 14.200479 logg= -0.006832 ETOT= -17.792550 -17.803794 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201638 logg= -0.007507 ETOT= -17.771771 -17.784353 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 7.100067 logg= -0.003237 ETOT= -8.891217 -8.895974 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200475 logg= -0.006832 ETOT= -17.792552 -17.803796 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201236 logg= -0.007477 ETOT= -17.777567 -17.790350 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.100114 logg= -0.003252 ETOT= -8.892404 -8.896922 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201639 logg= -0.007507 ETOT= -17.771770 -17.784353 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.202797 logg= -0.008000 ETOT= -17.759816 -17.773892 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100172 logg= -0.003289 ETOT= -8.894445 -8.899354 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201925 logg= -0.007785 ETOT= -17.770270 -17.783484 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100168 logg= -0.003289 ETOT= -8.894445 -8.899356 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201114 logg= -0.007122 ETOT= -17.800154 -17.814259 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Sum of eigenvalues= -10220.3290313070 eV TrLogG= -10227.5157796404 eV Ratio to renormalize= 0.999988639716 rho-rho_expected= 0.006816247633 nargs= 1 argi=dmft2.def 26) Finished k-point number 27 1 with #bands= 454 37) Finished k-point number 38 1 with #bands= 454 29) Finished k-point number 30 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 28) Finished k-point number 29 1 with #bands= 454 2) Finished k-point number 3 1 with #bands= 458 1) Finished k-point number 2 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 24) Finished k-point number 25 1 with #bands= 454 22) Finished k-point number 23 1 with #bands= 458 36) Finished k-point number 37 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 39) Finished k-point number 40 1 with #bands= 456 23) Finished k-point number 24 1 with #bands= 458 35) Finished k-point number 36 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 31) Finished k-point number 32 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 27) Finished k-point number 28 1 with #bands= 452 16) Finished k-point number 17 1 with #bands= 458 11) Finished k-point number 12 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 19) Finished k-point number 20 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 13) Finished k-point number 14 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 20) Finished k-point number 21 1 with #bands= 452 30) Finished k-point number 31 1 with #bands= 452 25) Finished k-point number 26 1 with #bands= 452 34) Finished k-point number 35 1 with #bands= 456 46) Finished k-point number 47 1 with #bands= 456 12) Finished k-point number 13 1 with #bands= 454 32) Finished k-point number 33 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 7) Finished k-point number 8 1 with #bands= 456 9) Finished k-point number 10 1 with #bands= 458 18) Finished k-point number 19 1 with #bands= 452 44) Finished k-point number 45 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 14) Finished k-point number 15 1 with #bands= 458 15) Finished k-point number 16 1 with #bands= 458 8) Finished k-point number 9 1 with #bands= 456 40) Finished k-point number 41 1 with #bands= 460 42) Finished k-point number 43 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745158045726236 0.745218687789522 0.760988765682794 0.761007152350936 0.760569259936045 0.760575738650161 5.477806374644657E-006 5.477806374644657E-006 -4.160890748791966E-004 0.745158050889136 0.745218688928225 0.760988757319935 0.761007154800396 0.760569258290577 0.760575740336374 -5.469890641896336E-006 -5.469890641896336E-006 -4.160865817061503E-004 0.745190492078954 0.745178091288001 0.760970995971661 0.761032526812474 0.760583308826537 0.760562032626866 5.820714352236562E-006 5.820714352236562E-006 -4.346365025250258E-004 0.745190483025432 0.745178088296583 0.760971004177522 0.761032529436819 0.760583305244925 0.760562036167559 -5.808667831945875E-006 -5.808667831945875E-006 -4.346395197604896E-004 0.745218561554949 0.745162573324469 0.761009476506508 0.760988860228930 0.760579929043553 0.760568749270501 6.355820753013524E-006 6.355820753013524E-006 -4.262240367802336E-004 0.745218555971591 0.745162570979057 0.761009477796825 0.760988866465567 0.760579936197564 0.760568742144557 -6.338405356476444E-006 -6.338405356476444E-006 -4.262246926443245E-004 0.745176056388402 0.745192356773568 0.761033708267116 0.760975661808690 0.760563299872402 0.760584740878107 6.185120219154442E-006 6.185120219154442E-006 -4.145731103822068E-004 0.745176058292898 0.745192356809927 0.761033708411629 0.760975659011016 0.760563300541667 0.760584740100503 -6.166857377481962E-006 -6.166857377481962E-006 -4.145753066608306E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.205191 logg= -0.009048 ETOT= -17.749217 -17.767071 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=684 Density= 14.200659 logg= -0.006862 ETOT= -17.793018 -17.804289 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200662 logg= -0.006862 ETOT= -17.793016 -17.804286 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.202044 logg= -0.007529 ETOT= -17.768909 -17.781328 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.203564 logg= -0.008381 ETOT= -17.757228 -17.772573 Density= 14.202940 logg= -0.008032 ETOT= -17.760307 -17.774406 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.201353 logg= -0.007097 ETOT= -17.776544 -17.788245 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200704 logg= -0.006698 ETOT= -17.781329 -17.791977 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.204186 logg= -0.008621 ETOT= -17.753142 -17.769649 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.200721 logg= -0.007070 ETOT= -17.794501 -17.806485 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.200586 logg= -0.006762 ETOT= -17.788111 -17.799060 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201805 logg= -0.007539 ETOT= -17.772250 -17.784864 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200933 logg= -0.007010 ETOT= -17.797508 -17.810407 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.201400 logg= -0.007510 ETOT= -17.778050 -17.790862 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=693 Density= 14.200648 logg= -0.006714 ETOT= -17.783847 -17.794616 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100722 logg= -0.003603 ETOT= -8.900889 -8.908169 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=687 Density= 14.202075 logg= -0.007818 ETOT= -17.770760 -17.784005 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=690 Density= 7.100267 logg= -0.003303 ETOT= -8.894674 -8.899596 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100722 logg= -0.003603 ETOT= -8.900888 -8.908169 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 3.550409 logg= -0.001828 ETOT= -4.450735 -4.454499 Density= 14.200852 logg= -0.007114 ETOT= -17.784229 -17.796299 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 7.100523 logg= -0.003487 ETOT= -8.899254 -8.905896 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.100270 logg= -0.003304 ETOT= -8.894673 -8.899594 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200668 logg= -0.007113 ETOT= -17.789800 -17.801977 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.200641 logg= -0.006713 ETOT= -17.783847 -17.794619 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.204186 logg= -0.008621 ETOT= -17.753142 -17.769649 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100524 logg= -0.003487 ETOT= -8.899253 -8.905895 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.200670 logg= -0.007113 ETOT= -17.789799 -17.801976 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100359 logg= -0.003376 ETOT= -8.897034 -8.902834 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201352 logg= -0.007097 ETOT= -17.776543 -17.788245 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200697 logg= -0.006696 ETOT= -17.781326 -17.791979 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100207 logg= -0.003266 ETOT= -8.892632 -8.897172 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201145 logg= -0.007102 ETOT= -17.779374 -17.791219 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100163 logg= -0.003251 ETOT= -8.891447 -8.896225 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200592 logg= -0.006762 ETOT= -17.788110 -17.799057 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200951 logg= -0.007367 ETOT= -17.784416 -17.797135 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=692 Density= 7.100361 logg= -0.003376 ETOT= -8.897033 -8.902832 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201147 logg= -0.007102 ETOT= -17.779374 -17.791218 Density= 14.201806 logg= -0.007539 ETOT= -17.772250 -17.784863 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=695 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200935 logg= -0.007010 ETOT= -17.797507 -17.810406 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=695 Density= 14.200854 logg= -0.007114 ETOT= -17.784228 -17.796298 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.201400 logg= -0.007510 ETOT= -17.778049 -17.790862 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.202940 logg= -0.008032 ETOT= -17.760307 -17.774406 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100212 logg= -0.003266 ETOT= -8.892633 -8.897169 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100170 logg= -0.003253 ETOT= -8.891450 -8.896222 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202642 logg= -0.007981 ETOT= -17.764212 -17.777657 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.202642 logg= -0.007981 ETOT= -17.764212 -17.777658 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.202043 logg= -0.007529 ETOT= -17.768909 -17.781328 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201285 logg= -0.007153 ETOT= -17.800627 -17.814755 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=696 Sum of eigenvalues= -10220.6038051374 eV TrLogG= -10227.8068243443 eV Ratio to renormalize= 0.999976962396 rho-rho_expected= 0.013822880568 nargs= 1 argi=dmft2.def 17) Finished k-point number 18 1 with #bands= 458 36) Finished k-point number 37 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 0) Finished k-point number 1 1 with #bands= 458 15) Finished k-point number 16 1 with #bands= 458 27) Finished k-point number 28 1 with #bands= 452 37) Finished k-point number 38 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 34) Finished k-point number 35 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 18) Finished k-point number 19 1 with #bands= 452 20) Finished k-point number 21 1 with #bands= 452 4) Finished k-point number 5 1 with #bands= 454 38) Finished k-point number 39 1 with #bands= 454 23) Finished k-point number 24 1 with #bands= 458 47) Finished k-point number 48 1 with #bands= 460 2) Finished k-point number 3 1 with #bands= 458 31) Finished k-point number 32 1 with #bands= 452 30) Finished k-point number 31 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 5) Finished k-point number 6 1 with #bands= 454 21) Finished k-point number 22 1 with #bands= 456 3) Finished k-point number 4 1 with #bands= 456 35) Finished k-point number 36 1 with #bands= 454 8) Finished k-point number 9 1 with #bands= 456 32) Finished k-point number 33 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 46) Finished k-point number 47 1 with #bands= 456 45) Finished k-point number 46 1 with #bands= 452 44) Finished k-point number 45 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 28) Finished k-point number 29 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 43) Finished k-point number 44 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 11) Finished k-point number 12 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 26) Finished k-point number 27 1 with #bands= 454 29) Finished k-point number 30 1 with #bands= 452 25) Finished k-point number 26 1 with #bands= 452 40) Finished k-point number 41 1 with #bands= 460 24) Finished k-point number 25 1 with #bands= 454 12) Finished k-point number 13 1 with #bands= 454 6) Finished k-point number 7 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 13) Finished k-point number 14 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 9) Finished k-point number 10 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745166414770146 0.745227152125977 0.760999982606319 0.761016578831499 0.760579074929117 0.760584042034453 5.440051762568282E-006 5.440051762568282E-006 -4.171346005180204E-004 0.745166421533470 0.745227149660113 0.760999976758469 0.761016573616434 0.760579067754075 0.760584049250801 -5.423886032669570E-006 -5.423886032669570E-006 -4.171301925920458E-004 0.745203097493141 0.745190440295059 0.760977277605530 0.761038242583570 0.760594144098743 0.760569279021887 5.902173729729455E-006 5.902173729729455E-006 -4.347214971464091E-004 0.745203102511061 0.745190433551471 0.760977287942763 0.761038238242504 0.760594138785002 0.760569284284120 -5.893206460984456E-006 -5.893206460984456E-006 -4.347239761350072E-004 0.745229204288737 0.745170702358795 0.761020708612119 0.760998163452292 0.760586035636968 0.760581929168558 6.745845487661695E-006 6.745845487661695E-006 -4.276283184785413E-004 0.745229207289646 0.745170699499694 0.761020710824502 0.760998160614528 0.760586035608894 0.760581929209493 -6.736709573336529E-006 -6.736709573336529E-006 -4.276303626212999E-004 0.745190686311220 0.745206262964456 0.761039119511232 0.760981586541046 0.760570862559639 0.760596412029880 4.893583204896897E-006 4.893583204896897E-006 -4.141775076336203E-004 0.745190684247732 0.745206256737742 0.761039124793372 0.760981589190047 0.760570865715946 0.760596408868669 -4.882052803080966E-006 -4.882052803080966E-006 -4.141833077929483E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200818 logg= -0.007078 ETOT= -17.784845 -17.797253 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.201014 logg= -0.006812 ETOT= -17.779801 -17.791335 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200576 logg= -0.006779 ETOT= -17.794935 -17.806607 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200571 logg= -0.006406 ETOT= -17.781749 -17.792093 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201016 logg= -0.006812 ETOT= -17.779801 -17.791334 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200446 logg= -0.006471 ETOT= -17.788542 -17.799181 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.100280 logg= -0.003230 ETOT= -8.897255 -8.902896 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201265 logg= -0.007221 ETOT= -17.778479 -17.790981 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 3.550362 logg= -0.001755 ETOT= -4.450850 -4.454534 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.200509 logg= -0.006423 ETOT= -17.784273 -17.794736 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200719 logg= -0.006825 ETOT= -17.784657 -17.796416 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200451 logg= -0.006472 ETOT= -17.788541 -17.799178 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201671 logg= -0.007250 ETOT= -17.772678 -17.784982 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.201224 logg= -0.006807 ETOT= -17.776969 -17.788360 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200770 logg= -0.006719 ETOT= -17.797953 -17.810535 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=702 Density= 14.204040 logg= -0.008330 ETOT= -17.753575 -17.769768 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.201671 logg= -0.007250 ETOT= -17.772678 -17.784982 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.204040 logg= -0.008330 ETOT= -17.753576 -17.769768 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.201937 logg= -0.007528 ETOT= -17.771191 -17.784125 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100436 logg= -0.003342 ETOT= -8.899478 -8.905963 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100100 logg= -0.003106 ETOT= -8.891658 -8.896284 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=703 Density= 14.200508 logg= -0.006571 ETOT= -17.793455 -17.804412 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.203420 logg= -0.008091 ETOT= -17.757661 -17.772690 Density= 14.200577 logg= -0.006408 ETOT= -17.781753 -17.792090 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.100144 logg= -0.003121 ETOT= -8.892847 -8.897230 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100139 logg= -0.003120 ETOT= -8.892845 -8.897233 Density= 14.202799 logg= -0.007741 ETOT= -17.760738 -17.774523 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=701 Density= 14.200516 logg= -0.006424 ETOT= -17.784274 -17.794733 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200771 logg= -0.006719 ETOT= -17.797951 -17.810534 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=701 Density= 14.200532 logg= -0.006823 ETOT= -17.790230 -17.802096 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100629 logg= -0.003458 ETOT= -8.901117 -8.908239 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.201223 logg= -0.006807 ETOT= -17.776968 -17.788360 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100630 logg= -0.003458 ETOT= -8.901117 -8.908239 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=686 Density= 14.201910 logg= -0.007239 ETOT= -17.769337 -17.781445 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.200534 logg= -0.006823 ETOT= -17.790229 -17.802094 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100435 logg= -0.003342 ETOT= -8.899479 -8.905964 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201266 logg= -0.007221 ETOT= -17.778479 -17.790980 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.205045 logg= -0.008757 ETOT= -17.749649 -17.767190 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.201910 logg= -0.007239 ETOT= -17.769337 -17.781445 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201107 logg= -0.006862 ETOT= -17.801080 -17.814891 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 7.100277 logg= -0.003230 ETOT= -8.897256 -8.902898 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200512 logg= -0.006571 ETOT= -17.793452 -17.804410 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200721 logg= -0.006825 ETOT= -17.784656 -17.796415 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100192 logg= -0.003158 ETOT= -8.894891 -8.899656 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100195 logg= -0.003158 ETOT= -8.894891 -8.899654 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202799 logg= -0.007742 ETOT= -17.760738 -17.774523 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100107 logg= -0.003107 ETOT= -8.891661 -8.896282 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 14.202503 logg= -0.007692 ETOT= -17.764643 -17.777776 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.202503 logg= -0.007692 ETOT= -17.764643 -17.777776 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Sum of eigenvalues= -10220.8523904199 eV TrLogG= -10227.8759869103 eV Ratio to renormalize= 0.999986969255 rho-rho_expected= 0.007818549098 nargs= 1 argi=dmft2.def 35) Finished k-point number 36 1 with #bands= 454 19) Finished k-point number 20 1 with #bands= 454 31) Finished k-point number 32 1 with #bands= 452 1) Finished k-point number 2 1 with #bands= 456 29) Finished k-point number 30 1 with #bands= 452 20) Finished k-point number 21 1 with #bands= 452 30) Finished k-point number 31 1 with #bands= 452 33) Finished k-point number 34 1 with #bands= 456 34) Finished k-point number 35 1 with #bands= 456 37) Finished k-point number 38 1 with #bands= 454 36) Finished k-point number 37 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 42) Finished k-point number 43 1 with #bands= 452 26) Finished k-point number 27 1 with #bands= 454 27) Finished k-point number 28 1 with #bands= 452 5) Finished k-point number 6 1 with #bands= 454 45) Finished k-point number 46 1 with #bands= 452 39) Finished k-point number 40 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 43) Finished k-point number 44 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 15) Finished k-point number 16 1 with #bands= 458 48) Finished k-point number 49 1 with #bands= 464 17) Finished k-point number 18 1 with #bands= 458 21) Finished k-point number 22 1 with #bands= 456 3) Finished k-point number 4 1 with #bands= 456 32) Finished k-point number 33 1 with #bands= 452 18) Finished k-point number 19 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 14) Finished k-point number 15 1 with #bands= 458 28) Finished k-point number 29 1 with #bands= 454 24) Finished k-point number 25 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 23) Finished k-point number 24 1 with #bands= 458 41) Finished k-point number 42 1 with #bands= 460 44) Finished k-point number 45 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 47) Finished k-point number 48 1 with #bands= 460 12) Finished k-point number 13 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 0) Finished k-point number 1 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 11) Finished k-point number 12 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 6) Finished k-point number 7 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 7) Finished k-point number 8 1 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745170660402044 0.745225441333680 0.760998849345095 0.761021486488382 0.760580147910264 0.760585941519795 3.865323872300151E-006 3.865323872300151E-006 -4.197143915998151E-004 0.745170672112232 0.745225449143049 0.760998842439694 0.761021473582551 0.760580142657898 0.760585946793455 -3.850427121931932E-006 -3.850427121931932E-006 -4.197077991026076E-004 0.745200891045489 0.745189762693579 0.760983288811852 0.761041528071930 0.760596287495359 0.760570174662333 6.850372945166051E-006 6.850372945166051E-006 -4.320724613731850E-004 0.745200878181787 0.745189759885206 0.760983292684715 0.761041541029531 0.760596284389188 0.760570177735068 -6.838826050504139E-006 -6.838826050504139E-006 -4.320749363276834E-004 0.745225466952448 0.745174446148730 0.761023272712346 0.761000452252732 0.760587474587596 0.760582358381416 5.709507698645883E-006 5.709507698645883E-006 -4.300954526770259E-004 0.745225466520907 0.745174447451851 0.761023269078377 0.761000454374202 0.760587471192974 0.760582361799501 -5.697993640850132E-006 -5.697993640850132E-006 -4.300964067233282E-004 0.745184642933849 0.745205315636731 0.761040010067282 0.760991650810372 0.760571633186402 0.760597598882450 7.084369346079239E-006 7.084369346079239E-006 -4.156084146983905E-004 0.745184656790291 0.745205317472843 0.761040016389114 0.760991633159366 0.760571636038479 0.760597595951631 -7.076465520686098E-006 -7.076465520686098E-006 -4.155984498297872E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200755 logg= -0.007123 ETOT= -17.797980 -17.811016 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.204061 logg= -0.008749 ETOT= -17.753597 -17.770242 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.200570 logg= -0.006812 ETOT= -17.781773 -17.792568 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201278 logg= -0.007630 ETOT= -17.778497 -17.791451 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100273 logg= -0.003432 ETOT= -8.897268 -8.903136 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.200719 logg= -0.007231 ETOT= -17.784681 -17.796892 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 7.100430 logg= -0.003544 ETOT= -8.899492 -8.906203 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.202820 logg= -0.008157 ETOT= -17.760758 -17.774994 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.200521 logg= -0.007228 ETOT= -17.790258 -17.802577 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.205064 logg= -0.009177 ETOT= -17.749673 -17.767667 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=684 Density= 14.201023 logg= -0.007220 ETOT= -17.779823 -17.791807 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.201236 logg= -0.007217 ETOT= -17.776991 -17.788831 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.201025 logg= -0.007220 ETOT= -17.779822 -17.791806 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.200577 logg= -0.006814 ETOT= -17.781777 -17.792566 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100095 logg= -0.003308 ETOT= -8.891671 -8.896525 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200505 logg= -0.006828 ETOT= -17.784298 -17.795213 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 7.100101 logg= -0.003309 ETOT= -8.891674 -8.896523 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200493 logg= -0.006975 ETOT= -17.793484 -17.804894 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200436 logg= -0.006876 ETOT= -17.788570 -17.799661 Density= 14.200819 logg= -0.007484 ETOT= -17.784867 -17.797728 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=692 Density= 14.201928 logg= -0.007652 ETOT= -17.769357 -17.781916 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201279 logg= -0.007630 ETOT= -17.778497 -17.791451 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.200511 logg= -0.006829 ETOT= -17.784299 -17.795210 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=697 Density= 14.201928 logg= -0.007652 ETOT= -17.769357 -17.781916 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 3.550359 logg= -0.001856 ETOT= -4.450857 -4.454654 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=672 Density= 14.201235 logg= -0.007216 ETOT= -17.776990 -17.788832 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200753 logg= -0.007123 ETOT= -17.797982 -17.811017 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.200557 logg= -0.007184 ETOT= -17.794966 -17.807091 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.202821 logg= -0.008157 ETOT= -17.760758 -17.774993 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100623 logg= -0.003660 ETOT= -8.901130 -8.908479 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=683 Density= 7.100429 logg= -0.003544 ETOT= -8.899493 -8.906203 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.100271 logg= -0.003432 ETOT= -8.897270 -8.903137 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.201688 logg= -0.007661 ETOT= -17.772697 -17.785452 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200522 logg= -0.007228 ETOT= -17.790257 -17.802576 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.204061 logg= -0.008749 ETOT= -17.753597 -17.770242 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.100138 logg= -0.003323 ETOT= -8.892860 -8.897471 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201689 logg= -0.007661 ETOT= -17.772697 -17.785452 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201093 logg= -0.007267 ETOT= -17.801107 -17.815371 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=696 Density= 7.100186 logg= -0.003360 ETOT= -8.894905 -8.899895 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200496 logg= -0.006975 ETOT= -17.793482 -17.804892 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.202524 logg= -0.008105 ETOT= -17.764661 -17.778247 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.203442 logg= -0.008507 ETOT= -17.757681 -17.773162 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.100624 logg= -0.003660 ETOT= -8.901130 -8.908479 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.200722 logg= -0.007231 ETOT= -17.784679 -17.796891 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.201957 logg= -0.007939 ETOT= -17.771207 -17.784594 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.200441 logg= -0.006876 ETOT= -17.788568 -17.799658 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100189 logg= -0.003360 ETOT= -8.894904 -8.899894 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100133 logg= -0.003322 ETOT= -8.892859 -8.897473 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202524 logg= -0.008105 ETOT= -17.764661 -17.778246 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Sum of eigenvalues= -10220.8660349342 eV TrLogG= -10228.1495919671 eV Ratio to renormalize= 0.999986794013 rho-rho_expected= 0.007923696756 nargs= 1 argi=dmft2.def 23) Finished k-point number 24 1 with #bands= 458 47) Finished k-point number 48 1 with #bands= 460 28) Finished k-point number 29 1 with #bands= 454 29) Finished k-point number 30 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 44) Finished k-point number 45 1 with #bands= 452 24) Finished k-point number 25 1 with #bands= 454 1) Finished k-point number 2 1 with #bands= 456 20) Finished k-point number 21 1 with #bands= 452 33) Finished k-point number 34 1 with #bands= 456 27) Finished k-point number 28 1 with #bands= 452 5) Finished k-point number 6 1 with #bands= 454 35) Finished k-point number 36 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 26) Finished k-point number 27 1 with #bands= 454 11) Finished k-point number 12 1 with #bands= 452 30) Finished k-point number 31 1 with #bands= 452 36) Finished k-point number 37 1 with #bands= 454 37) Finished k-point number 38 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 7) Finished k-point number 8 1 with #bands= 456 21) Finished k-point number 22 1 with #bands= 456 25) Finished k-point number 26 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 48) Finished k-point number 49 1 with #bands= 464 22) Finished k-point number 23 1 with #bands= 458 17) Finished k-point number 18 1 with #bands= 458 31) Finished k-point number 32 1 with #bands= 452 16) Finished k-point number 17 1 with #bands= 458 2) Finished k-point number 3 1 with #bands= 458 3) Finished k-point number 4 1 with #bands= 456 18) Finished k-point number 19 1 with #bands= 452 32) Finished k-point number 33 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 4) Finished k-point number 5 1 with #bands= 454 0) Finished k-point number 1 1 with #bands= 458 14) Finished k-point number 15 1 with #bands= 458 45) Finished k-point number 46 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 15) Finished k-point number 16 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 13) Finished k-point number 14 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 42) Finished k-point number 43 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 10) Finished k-point number 11 1 with #bands= 458 6) Finished k-point number 7 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 41) Finished k-point number 42 1 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745166107776480 0.745221728481081 0.760994953893029 0.761013530833868 0.760573801807154 0.760581910793297 3.163971030931478E-006 3.163971030931478E-006 -4.165968220691855E-004 0.745166136688587 0.745221725446287 0.760994944720125 0.761013516558664 0.760573804953007 0.760581907675325 -3.144973785999808E-006 -3.144973785999808E-006 -4.165994589241340E-004 0.745199592972046 0.745184015328926 0.760975620958257 0.761035834018872 0.760591846667326 0.760564247560656 6.025887707221339E-006 6.025887707221339E-006 -4.347989811171975E-004 0.745199588956121 0.745183986632233 0.760975616878933 0.761035870843692 0.760591847356318 0.760564246799578 -6.005626326925435E-006 -6.005626326925435E-006 -4.348124830793193E-004 0.745223466026680 0.745166913021459 0.761018148023045 0.760995109937491 0.760583587495722 0.760575869228798 4.380206635648092E-006 4.380206635648092E-006 -4.279425564778972E-004 0.745223465214932 0.745166912694368 0.761018148621076 0.760995109768729 0.760583585321519 0.760575871430279 -4.365535590436781E-006 -4.365535590436781E-006 -4.279405065382327E-004 0.745181253482234 0.745201735753164 0.761038388204203 0.760980662087093 0.760565674263802 0.760593170485584 5.414029013442484E-006 5.414029013442484E-006 -4.115311557899292E-004 0.745181244987967 0.745201735926263 0.761038384585492 0.760980662734454 0.760565674413822 0.760593170288444 -5.397867615289354E-006 -5.397867615289354E-006 -4.115284274607938E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200671 logg= -0.006546 ETOT= -17.788312 -17.799009 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200746 logg= -0.006498 ETOT= -17.784036 -17.794557 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200813 logg= -0.006481 ETOT= -17.781508 -17.791910 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 7.100391 logg= -0.003268 ETOT= -8.897141 -8.902812 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100544 logg= -0.003379 ETOT= -8.899367 -8.905881 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.203085 logg= -0.007821 ETOT= -17.760477 -17.774322 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200773 logg= -0.006855 ETOT= -17.794723 -17.806453 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100734 logg= -0.003496 ETOT= -8.901008 -8.908160 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=683 Density= 14.200739 logg= -0.006899 ETOT= -17.790011 -17.801936 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100254 logg= -0.003158 ETOT= -8.892729 -8.897145 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200741 logg= -0.006899 ETOT= -17.790010 -17.801935 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.202185 logg= -0.007315 ETOT= -17.769079 -17.781246 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.203084 logg= -0.007821 ETOT= -17.760477 -17.774322 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200951 logg= -0.006900 ETOT= -17.784423 -17.796241 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200721 logg= -0.006646 ETOT= -17.793233 -17.804249 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200724 logg= -0.006646 ETOT= -17.793230 -17.804247 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201267 logg= -0.006887 ETOT= -17.779556 -17.791148 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200752 logg= -0.006499 ETOT= -17.784037 -17.794555 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100215 logg= -0.003143 ETOT= -8.891541 -8.896196 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200976 logg= -0.006795 ETOT= -17.797735 -17.810377 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 7.100734 logg= -0.003496 ETOT= -8.901007 -8.908160 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.200978 logg= -0.006795 ETOT= -17.797733 -17.810376 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 7.100306 logg= -0.003195 ETOT= -8.894775 -8.899570 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202185 logg= -0.007315 ETOT= -17.769079 -17.781245 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 7.100221 logg= -0.003145 ETOT= -8.891544 -8.896194 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201935 logg= -0.007326 ETOT= -17.772427 -17.784789 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200948 logg= -0.006900 ETOT= -17.784424 -17.796243 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201038 logg= -0.007154 ETOT= -17.784619 -17.797085 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100543 logg= -0.003380 ETOT= -8.899368 -8.905882 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=693 Density= 14.202777 logg= -0.007770 ETOT= -17.764387 -17.777581 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201935 logg= -0.007326 ETOT= -17.772426 -17.784789 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.204336 logg= -0.008415 ETOT= -17.753312 -17.769567 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.201485 logg= -0.006882 ETOT= -17.776717 -17.788167 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201509 logg= -0.007297 ETOT= -17.778239 -17.790800 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 3.550414 logg= -0.001775 ETOT= -4.450796 -4.454495 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.201486 logg= -0.006883 ETOT= -17.776718 -17.788167 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201265 logg= -0.006887 ETOT= -17.779556 -17.791149 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200676 logg= -0.006546 ETOT= -17.788311 -17.799007 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.204336 logg= -0.008415 ETOT= -17.753312 -17.769567 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.205349 logg= -0.008846 ETOT= -17.749383 -17.766988 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.200820 logg= -0.006483 ETOT= -17.781512 -17.791908 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201315 logg= -0.006939 ETOT= -17.800862 -17.814733 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=697 Density= 14.203706 logg= -0.008173 ETOT= -17.757401 -17.772492 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 7.100258 logg= -0.003158 ETOT= -8.892730 -8.897143 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202197 logg= -0.007606 ETOT= -17.770943 -17.783937 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100388 logg= -0.003268 ETOT= -8.897142 -8.902814 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201509 logg= -0.007297 ETOT= -17.778239 -17.790800 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202778 logg= -0.007770 ETOT= -17.764387 -17.777581 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=697 Density= 7.100309 logg= -0.003195 ETOT= -8.894775 -8.899569 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Sum of eigenvalues= -10220.7149001790 eV TrLogG= -10227.7727621869 eV Ratio to renormalize= 0.999969836267 rho-rho_expected= 0.018098785699 nargs= 1 argi=dmft2.def 20) Finished k-point number 21 1 with #bands= 452 16) Finished k-point number 17 1 with #bands= 458 23) Finished k-point number 24 1 with #bands= 458 32) Finished k-point number 33 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 28) Finished k-point number 29 1 with #bands= 454 26) Finished k-point number 27 1 with #bands= 454 18) Finished k-point number 19 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 37) Finished k-point number 38 1 with #bands= 454 31) Finished k-point number 32 1 with #bands= 452 48) Finished k-point number 49 1 with #bands= 464 36) Finished k-point number 37 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 17) Finished k-point number 18 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 25) Finished k-point number 26 1 with #bands= 452 24) Finished k-point number 25 1 with #bands= 454 21) Finished k-point number 22 1 with #bands= 456 19) Finished k-point number 20 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 2) Finished k-point number 3 1 with #bands= 458 1) Finished k-point number 2 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 35) Finished k-point number 36 1 with #bands= 454 27) Finished k-point number 28 1 with #bands= 452 30) Finished k-point number 31 1 with #bands= 452 33) Finished k-point number 34 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 45) Finished k-point number 46 1 with #bands= 452 3) Finished k-point number 4 1 with #bands= 456 22) Finished k-point number 23 1 with #bands= 458 14) Finished k-point number 15 1 with #bands= 458 44) Finished k-point number 45 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 46) Finished k-point number 47 1 with #bands= 456 4) Finished k-point number 5 1 with #bands= 454 42) Finished k-point number 43 1 with #bands= 452 40) Finished k-point number 41 1 with #bands= 460 10) Finished k-point number 11 1 with #bands= 458 6) Finished k-point number 7 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 13) Finished k-point number 14 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 12) Finished k-point number 13 1 with #bands= 454 7) Finished k-point number 8 1 with #bands= 456 41) Finished k-point number 42 1 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745168361565046 0.745229411358301 0.761000236636952 0.761018330445648 0.760579135236588 0.760587571295369 3.653423797364727E-006 3.653423797364727E-006 -4.161864568465731E-004 0.745168370418219 0.745229428499395 0.761000219138685 0.761018322170873 0.760579136456296 0.760587570158127 -3.639612994467852E-006 -3.639612994467852E-006 -4.161755469162383E-004 0.745195050609148 0.745186056472634 0.760986907365290 0.761048427764011 0.760595867889484 0.760571288201183 7.125597571495074E-006 7.125597571495074E-006 -4.350932667614961E-004 0.745195049290729 0.745186047254224 0.760986912051725 0.761048435957359 0.760595875389907 0.760571280666829 -7.112501533889606E-006 -7.112501533889606E-006 -4.350972823454364E-004 0.745229061888250 0.745170241681905 0.761023645963069 0.760996452486049 0.760588398515761 0.760580413480302 3.375352792011281E-006 3.375352792011281E-006 -4.286529907210056E-004 0.745229062275839 0.745170243245815 0.761023646065315 0.760996449872009 0.760588401579436 0.760580410464673 -3.366129600163726E-006 -3.366129600163726E-006 -4.286513428679285E-004 0.745186428070372 0.745199215436072 0.761045882326976 0.760988519798300 0.760571222442325 0.760597133800874 6.290791521852248E-006 6.290791521852248E-006 -4.135187778638986E-004 0.745186429163250 0.745199213743427 0.761045881019068 0.760988521302402 0.760571222541289 0.760597133653428 -6.275539847860632E-006 -6.275539847860632E-006 -4.135181320646948E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 3.550429 logg= -0.001760 ETOT= -4.450810 -4.454493 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.201307 logg= -0.006834 ETOT= -17.779634 -17.791163 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200794 logg= -0.006442 ETOT= -17.784107 -17.794565 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.200721 logg= -0.006490 ETOT= -17.788381 -17.799016 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=704 Density= 14.201525 logg= -0.006830 ETOT= -17.776798 -17.788183 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100420 logg= -0.003239 ETOT= -8.897171 -8.902811 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200992 logg= -0.006846 ETOT= -17.784500 -17.796255 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201375 logg= -0.006881 ETOT= -17.800921 -17.814729 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 7.100574 logg= -0.003351 ETOT= -8.899396 -8.905879 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.202227 logg= -0.007553 ETOT= -17.771028 -17.783958 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200800 logg= -0.006443 ETOT= -17.784108 -17.794563 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200861 logg= -0.006426 ETOT= -17.781581 -17.791919 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201032 logg= -0.006738 ETOT= -17.797797 -17.810377 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.200785 logg= -0.006844 ETOT= -17.790083 -17.801945 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100278 logg= -0.003129 ETOT= -8.892762 -8.897149 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200726 logg= -0.006491 ETOT= -17.788380 -17.799013 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100766 logg= -0.003467 ETOT= -8.901036 -8.908157 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.200821 logg= -0.006799 ETOT= -17.794791 -17.806460 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.204342 logg= -0.008361 ETOT= -17.753414 -17.769599 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100336 logg= -0.003167 ETOT= -8.894807 -8.899569 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200773 logg= -0.006590 ETOT= -17.793298 -17.804252 Density= 14.200777 logg= -0.006590 ETOT= -17.793296 -17.804250 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.203105 logg= -0.007769 ETOT= -17.760570 -17.774348 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=697 Density= 14.200784 logg= -0.006844 ETOT= -17.790084 -17.801946 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201524 logg= -0.006829 ETOT= -17.776797 -17.788183 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201547 logg= -0.007244 ETOT= -17.778319 -17.790817 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202802 logg= -0.007718 ETOT= -17.764478 -17.777605 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200994 logg= -0.006846 ETOT= -17.784498 -17.796253 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201968 logg= -0.007274 ETOT= -17.772511 -17.784809 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.201079 logg= -0.007100 ETOT= -17.784695 -17.797099 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.201034 logg= -0.006738 ETOT= -17.797796 -17.810376 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 7.100765 logg= -0.003467 ETOT= -8.901036 -8.908157 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=690 Density= 14.201547 logg= -0.007244 ETOT= -17.778319 -17.790816 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202214 logg= -0.007264 ETOT= -17.769167 -17.781269 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.204342 logg= -0.008361 ETOT= -17.753414 -17.769599 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100237 logg= -0.003115 ETOT= -8.891576 -8.896201 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.200867 logg= -0.006427 ETOT= -17.781584 -17.791917 Density= 14.205341 logg= -0.008790 ETOT= -17.749492 -17.767026 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 7.100418 logg= -0.003239 ETOT= -8.897172 -8.902813 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100244 logg= -0.003116 ETOT= -8.891579 -8.896199 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.203720 logg= -0.008120 ETOT= -17.757498 -17.772521 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.202214 logg= -0.007264 ETOT= -17.769167 -17.781269 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 7.100333 logg= -0.003167 ETOT= -8.894807 -8.899571 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201968 logg= -0.007274 ETOT= -17.772511 -17.784809 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.201308 logg= -0.006834 ETOT= -17.779634 -17.791162 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100283 logg= -0.003130 ETOT= -8.892764 -8.897147 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.203105 logg= -0.007769 ETOT= -17.760570 -17.774348 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100573 logg= -0.003351 ETOT= -8.899397 -8.905880 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=695 Density= 14.202801 logg= -0.007718 ETOT= -17.764478 -17.777605 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Sum of eigenvalues= -10220.7592370559 eV TrLogG= -10227.7802375711 eV Ratio to renormalize= 0.999967039968 rho-rho_expected= 0.019776671020 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 452 23) Finished k-point number 24 1 with #bands= 458 25) Finished k-point number 26 1 with #bands= 452 29) Finished k-point number 30 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 37) Finished k-point number 38 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 27) Finished k-point number 28 1 with #bands= 452 3) Finished k-point number 4 1 with #bands= 456 14) Finished k-point number 15 1 with #bands= 458 36) Finished k-point number 37 1 with #bands= 454 30) Finished k-point number 31 1 with #bands= 452 24) Finished k-point number 25 1 with #bands= 454 47) Finished k-point number 48 1 with #bands= 460 28) Finished k-point number 29 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 2) Finished k-point number 3 1 with #bands= 458 26) Finished k-point number 27 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 1) Finished k-point number 2 1 with #bands= 456 20) Finished k-point number 21 1 with #bands= 452 35) Finished k-point number 36 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 34) Finished k-point number 35 1 with #bands= 456 33) Finished k-point number 34 1 with #bands= 456 32) Finished k-point number 33 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 38) Finished k-point number 39 1 with #bands= 454 10) Finished k-point number 11 1 with #bands= 458 9) Finished k-point number 10 1 with #bands= 458 11) Finished k-point number 12 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 18) Finished k-point number 19 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 8) Finished k-point number 9 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 45) Finished k-point number 46 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 13) Finished k-point number 14 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 44) Finished k-point number 45 1 with #bands= 452 42) Finished k-point number 43 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 12) Finished k-point number 13 1 with #bands= 454 43) Finished k-point number 44 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 41) Finished k-point number 42 1 with #bands= 460 40) Finished k-point number 41 1 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745167091297717 0.745230797064633 0.760997890799663 0.761024285620599 0.760580639003935 0.760587806306052 3.890408090262203E-006 3.890408090262203E-006 -4.134020722136958E-004 0.745167093484164 0.745230799077298 0.760997888887571 0.761024284279823 0.760580639604427 0.760587805793080 -3.889446836040844E-006 -3.889446836040844E-006 -4.134025418460437E-004 0.745204193456365 0.745194367584021 0.760978794207081 0.761042484526656 0.760598297245799 0.760570632126240 5.481874109889875E-006 5.481874109889875E-006 -4.353008073231054E-004 0.745204195202203 0.745194358296341 0.760978797681121 0.761042488908240 0.760598295222968 0.760570634128196 -5.472407202799937E-006 -5.472407202799937E-006 -4.353108621839867E-004 0.745228975289828 0.745171116196561 0.761024278542757 0.760998577710980 0.760587500655530 0.760582846820511 4.488175170960799E-006 4.488175170960799E-006 -4.271480399926721E-004 0.745228968209520 0.745171114116342 0.761024280254007 0.760998583118400 0.760587501213920 0.760582846305836 -4.481957777234235E-006 -4.481957777234235E-006 -4.271486786973941E-004 0.745190644940006 0.745207072228537 0.761041157188601 0.760984045035914 0.760570896013393 0.760599056867053 3.400377687223291E-006 3.400377687223291E-006 -4.144291794537471E-004 0.745190648726812 0.745207070708105 0.761041157305170 0.760984041937695 0.760570897311272 0.760599055535998 -3.384116586655115E-006 -3.384116586655115E-006 -4.144312734341194E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200178 logg= -0.007364 ETOT= -17.794971 -17.807320 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200637 logg= -0.007398 ETOT= -17.779829 -17.792038 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200105 logg= -0.007008 ETOT= -17.784315 -17.795453 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.099890 logg= -0.003399 ETOT= -8.891684 -8.896648 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203722 logg= -0.008930 ETOT= -17.753577 -17.770451 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.201552 logg= -0.007828 ETOT= -17.769355 -17.782140 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.200043 logg= -0.007056 ETOT= -17.788583 -17.799897 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200909 logg= -0.007808 ETOT= -17.778493 -17.791673 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200110 logg= -0.007155 ETOT= -17.793492 -17.805125 Density= 14.200842 logg= -0.007394 ETOT= -17.776998 -17.789066 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200375 logg= -0.007304 ETOT= -17.797987 -17.811246 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.200340 logg= -0.007410 ETOT= -17.784683 -17.797119 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.202465 logg= -0.008335 ETOT= -17.760746 -17.775209 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.099930 logg= -0.003413 ETOT= -8.892870 -8.897595 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 3.550267 logg= -0.001902 ETOT= -4.450856 -4.454710 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 7.100239 logg= -0.003634 ETOT= -8.899496 -8.906318 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=693 Density= 14.200338 logg= -0.007410 ETOT= -17.784685 -17.797121 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200143 logg= -0.007407 ETOT= -17.790261 -17.802804 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.099935 logg= -0.003414 ETOT= -8.892871 -8.897593 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100240 logg= -0.003634 ETOT= -8.899495 -8.906318 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200721 logg= -0.007447 ETOT= -17.801109 -17.815598 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=696 Density= 14.201315 logg= -0.007838 ETOT= -17.772694 -17.785675 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200166 logg= -0.006992 ETOT= -17.781792 -17.792811 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200172 logg= -0.006994 ETOT= -17.781796 -17.792809 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=701 Density= 14.203096 logg= -0.008688 ETOT= -17.757663 -17.773374 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200047 logg= -0.007056 ETOT= -17.788582 -17.799895 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100078 logg= -0.003522 ETOT= -8.897275 -8.903254 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.099990 logg= -0.003451 ETOT= -8.894914 -8.900015 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200106 logg= -0.007155 ETOT= -17.793494 -17.805127 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200635 logg= -0.007398 ETOT= -17.779829 -17.792039 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200449 logg= -0.007663 ETOT= -17.784865 -17.797950 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200144 logg= -0.007407 ETOT= -17.790260 -17.802803 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100439 logg= -0.003750 ETOT= -8.901130 -8.908591 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.203722 logg= -0.008930 ETOT= -17.753577 -17.770451 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200374 logg= -0.007304 ETOT= -17.797988 -17.811247 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 7.099987 logg= -0.003450 ETOT= -8.894914 -8.900016 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100439 logg= -0.003750 ETOT= -8.901130 -8.908592 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.202166 logg= -0.008284 ETOT= -17.764650 -17.778462 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201553 logg= -0.007829 ETOT= -17.769355 -17.782140 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.204734 logg= -0.009361 ETOT= -17.749648 -17.767874 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.200111 logg= -0.007009 ETOT= -17.784316 -17.795451 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=701 Density= 7.099896 logg= -0.003400 ETOT= -8.891687 -8.896646 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202166 logg= -0.008284 ETOT= -17.764650 -17.778462 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=697 Density= 14.201316 logg= -0.007838 ETOT= -17.772693 -17.785674 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 7.100076 logg= -0.003522 ETOT= -8.897276 -8.903255 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200844 logg= -0.007394 ETOT= -17.776999 -17.789065 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201595 logg= -0.008118 ETOT= -17.771198 -17.784812 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200909 logg= -0.007808 ETOT= -17.778493 -17.791673 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202464 logg= -0.008335 ETOT= -17.760746 -17.775210 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Sum of eigenvalues= -10220.8674284591 eV TrLogG= -10228.2804791567 eV Ratio to renormalize= 1.000013382930 rho-rho_expected=-0.008029650563 nargs= 1 argi=dmft2.def 48) Finished k-point number 49 1 with #bands= 464 21) Finished k-point number 22 1 with #bands= 456 3) Finished k-point number 4 1 with #bands= 456 37) Finished k-point number 38 1 with #bands= 454 23) Finished k-point number 24 1 with #bands= 458 34) Finished k-point number 35 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 35) Finished k-point number 36 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 31) Finished k-point number 32 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 25) Finished k-point number 26 1 with #bands= 452 36) Finished k-point number 37 1 with #bands= 454 22) Finished k-point number 23 1 with #bands= 458 39) Finished k-point number 40 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 1) Finished k-point number 2 1 with #bands= 456 26) Finished k-point number 27 1 with #bands= 454 30) Finished k-point number 31 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 32) Finished k-point number 33 1 with #bands= 452 4) Finished k-point number 5 1 with #bands= 454 27) Finished k-point number 28 1 with #bands= 452 29) Finished k-point number 30 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 2) Finished k-point number 3 1 with #bands= 458 15) Finished k-point number 16 1 with #bands= 458 0) Finished k-point number 1 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 46) Finished k-point number 47 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 20) Finished k-point number 21 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 28) Finished k-point number 29 1 with #bands= 454 44) Finished k-point number 45 1 with #bands= 452 24) Finished k-point number 25 1 with #bands= 454 47) Finished k-point number 48 1 with #bands= 460 43) Finished k-point number 44 1 with #bands= 452 18) Finished k-point number 19 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 10) Finished k-point number 11 1 with #bands= 458 7) Finished k-point number 8 1 with #bands= 456 6) Finished k-point number 7 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 40) Finished k-point number 41 1 with #bands= 460 8) Finished k-point number 9 1 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745181980677872 0.745240553721100 0.761014189032413 0.761033189669978 0.760594404913729 0.760597681923648 5.118158467529184E-006 5.118158467529184E-006 -4.137610552263637E-004 0.745181992854943 0.745240552671832 0.761014176392463 0.761033192147597 0.760594406695425 0.760597680201467 -5.114513694070810E-006 -5.114513694070810E-006 -4.137683308300513E-004 0.745214147596393 0.745200226479592 0.760995790397396 0.761058228207757 0.760609454574817 0.760582980350682 4.909390268733329E-006 4.909390268733329E-006 -4.363840272884901E-004 0.745214155327167 0.745200223781682 0.760995784736286 0.761058230375537 0.760609452173783 0.760582982716608 -4.892664871005468E-006 -4.892664871005468E-006 -4.363875480816095E-004 0.745244662175074 0.745187747552472 0.761032067812975 0.761011637627783 0.760600300020121 0.760595939199167 5.602900321350698E-006 5.602900321350698E-006 -4.282151556283259E-004 0.745244662929761 0.745187744175788 0.761032071994796 0.761011636212377 0.760600296631178 0.760595942573424 -5.590904571079815E-006 -5.590904571079815E-006 -4.282108886935111E-004 0.745199173255201 0.745217566544729 0.761057162885024 0.761002100006557 0.760585380255704 0.760610264764340 3.656472344802026E-006 3.656472344802026E-006 -4.153717754149438E-004 0.745199174128726 0.745217563429820 0.761057163502204 0.761002101826860 0.760585384987629 0.760610259950852 -3.641671938732936E-006 -3.641671938732936E-006 -4.153797861075015E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200947 logg= -0.007106 ETOT= -17.798165 -17.811174 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.200886 logg= -0.007215 ETOT= -17.784881 -17.797073 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200666 logg= -0.006814 ETOT= -17.784505 -17.795398 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200754 logg= -0.007167 ETOT= -17.795148 -17.807252 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=699 Density= 14.204188 logg= -0.008730 ETOT= -17.753818 -17.770438 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.202050 logg= -0.007635 ETOT= -17.769582 -17.782122 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.200709 logg= -0.007212 ETOT= -17.790445 -17.802745 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.205194 logg= -0.009158 ETOT= -17.749890 -17.767860 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.202050 logg= -0.007635 ETOT= -17.769582 -17.782122 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.202943 logg= -0.008139 ETOT= -17.760982 -17.775193 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.202943 logg= -0.008139 ETOT= -17.760982 -17.775193 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.204188 logg= -0.008730 ETOT= -17.753817 -17.770438 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201432 logg= -0.007613 ETOT= -17.778704 -17.791639 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100524 logg= -0.003535 ETOT= -8.899586 -8.906283 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 3.550407 logg= -0.001852 ETOT= -4.450903 -4.454693 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=672 Density= 14.201367 logg= -0.007201 ETOT= -17.777210 -17.789033 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=699 Density= 7.100523 logg= -0.003535 ETOT= -8.899587 -8.906283 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200945 logg= -0.007106 ETOT= -17.798167 -17.811175 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.200710 logg= -0.007212 ETOT= -17.790444 -17.802744 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201284 logg= -0.007248 ETOT= -17.801292 -17.815528 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 14.201368 logg= -0.007201 ETOT= -17.777211 -17.789032 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200728 logg= -0.006800 ETOT= -17.781990 -17.792758 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201168 logg= -0.007204 ETOT= -17.780036 -17.792001 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200680 logg= -0.006959 ETOT= -17.793673 -17.805059 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=701 Density= 14.202097 logg= -0.007923 ETOT= -17.771421 -17.784789 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100277 logg= -0.003353 ETOT= -8.895004 -8.899979 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200995 logg= -0.007468 ETOT= -17.785062 -17.797903 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.201822 logg= -0.007644 ETOT= -17.772915 -17.785651 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200611 logg= -0.006861 ETOT= -17.788767 -17.799837 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=701 Density= 7.100718 logg= -0.003651 ETOT= -8.901223 -8.908558 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.202653 logg= -0.008088 ETOT= -17.764881 -17.778446 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.202653 logg= -0.008088 ETOT= -17.764881 -17.778445 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=699 Density= 7.100365 logg= -0.003424 ETOT= -8.897364 -8.903218 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=695 Density= 14.200722 logg= -0.006798 ETOT= -17.781986 -17.792760 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200888 logg= -0.007215 ETOT= -17.784880 -17.797071 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100218 logg= -0.003316 ETOT= -8.892961 -8.897566 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100222 logg= -0.003316 ETOT= -8.892963 -8.897564 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200616 logg= -0.006861 ETOT= -17.788766 -17.799835 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100274 logg= -0.003353 ETOT= -8.895004 -8.899980 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100183 logg= -0.003303 ETOT= -8.891779 -8.896619 Density= 14.201170 logg= -0.007205 ETOT= -17.780036 -17.792000 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.203569 logg= -0.008490 ETOT= -17.757901 -17.773358 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200672 logg= -0.006815 ETOT= -17.784506 -17.795396 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200683 logg= -0.006959 ETOT= -17.793671 -17.805057 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201823 logg= -0.007644 ETOT= -17.772915 -17.785651 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 7.100363 logg= -0.003424 ETOT= -8.897365 -8.903219 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100176 logg= -0.003302 ETOT= -8.891776 -8.896621 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201433 logg= -0.007613 ETOT= -17.778704 -17.791639 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100719 logg= -0.003651 ETOT= -8.901223 -8.908558 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Sum of eigenvalues= -10220.9842688476 eV TrLogG= -10228.2551285802 eV Ratio to renormalize= 0.999975709931 rho-rho_expected= 0.014574395334 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 45) Finished k-point number 46 1 with #bands= 452 37) Finished k-point number 38 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 34) Finished k-point number 35 1 with #bands= 456 36) Finished k-point number 37 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 15) Finished k-point number 16 1 with #bands= 458 22) Finished k-point number 23 1 with #bands= 458 23) Finished k-point number 24 1 with #bands= 458 25) Finished k-point number 26 1 with #bands= 452 27) Finished k-point number 28 1 with #bands= 452 29) Finished k-point number 30 1 with #bands= 452 28) Finished k-point number 29 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 44) Finished k-point number 45 1 with #bands= 452 5) Finished k-point number 6 1 with #bands= 454 17) Finished k-point number 18 1 with #bands= 458 46) Finished k-point number 47 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 21) Finished k-point number 22 1 with #bands= 456 35) Finished k-point number 36 1 with #bands= 454 30) Finished k-point number 31 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 2) Finished k-point number 3 1 with #bands= 458 32) Finished k-point number 33 1 with #bands= 452 26) Finished k-point number 27 1 with #bands= 454 24) Finished k-point number 25 1 with #bands= 454 18) Finished k-point number 19 1 with #bands= 452 39) Finished k-point number 40 1 with #bands= 456 1) Finished k-point number 2 1 with #bands= 456 42) Finished k-point number 43 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 9) Finished k-point number 10 1 with #bands= 458 12) Finished k-point number 13 1 with #bands= 454 43) Finished k-point number 44 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 41) Finished k-point number 42 1 with #bands= 460 16) Finished k-point number 17 1 with #bands= 458 20) Finished k-point number 21 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 40) Finished k-point number 41 1 with #bands= 460 10) Finished k-point number 11 1 with #bands= 458 6) Finished k-point number 7 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745152101887163 0.745214124077662 0.760988001631464 0.761005784319653 0.760566159287539 0.760573394438963 5.312618773329876E-006 5.312618773329876E-006 -4.169529886327399E-004 0.745152048810194 0.745214133847740 0.760988013723695 0.761005819999537 0.760566158641745 0.760573395144569 -5.273667150890678E-006 -5.273667150890678E-006 -4.169545878497501E-004 0.745187131885091 0.745171810876129 0.760971461504141 0.761028663222718 0.760584819693895 0.760555141966772 7.084721938686465E-006 7.084721938686465E-006 -4.338013242094580E-004 0.745187139596239 0.745171816121937 0.760971443932445 0.761028663829719 0.760584818185430 0.760555143419222 -7.084913947278437E-006 -7.084913947278437E-006 -4.338034631828630E-004 0.745213049105333 0.745154344135218 0.761008250590485 0.760986604852965 0.760574233303390 0.760567029704952 6.306150049229773E-006 6.306150049229773E-006 -4.311057342363886E-004 0.745213050918233 0.745154343740750 0.761008245101448 0.760986608857431 0.760574236080304 0.760567026950545 -6.294009252000956E-006 -6.294009252000956E-006 -4.311063438026243E-004 0.745170964481180 0.745189432137529 0.761026865616429 0.760974412671951 0.760555514443986 0.760585314013098 7.495556658717109E-006 7.495556658717109E-006 -4.147120445870041E-004 0.745170968389747 0.745189433411998 0.761026861178340 0.760974411652482 0.760555515490808 0.760585312935695 -7.475287394364888E-006 -7.475287394364888E-006 -4.147058161933303E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200517 logg= -0.006217 ETOT= -17.781201 -17.791339 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200979 logg= -0.006625 ETOT= -17.779244 -17.790574 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200724 logg= -0.006533 ETOT= -17.797401 -17.809790 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.200457 logg= -0.006233 ETOT= -17.783724 -17.793982 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200521 logg= -0.006593 ETOT= -17.794389 -17.805861 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200780 logg= -0.006892 ETOT= -17.784290 -17.796496 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100257 logg= -0.003136 ETOT= -8.896979 -8.902522 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201189 logg= -0.006620 ETOT= -17.776412 -17.787598 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100416 logg= -0.003248 ETOT= -8.899202 -8.905589 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 3.550353 logg= -0.001709 ETOT= -4.450711 -4.454347 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.201191 logg= -0.006620 ETOT= -17.776413 -17.787598 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200723 logg= -0.006533 ETOT= -17.797402 -17.809791 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.202804 logg= -0.007564 ETOT= -17.760169 -17.773757 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201654 logg= -0.007066 ETOT= -17.772114 -17.784214 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200457 logg= -0.006383 ETOT= -17.792906 -17.803664 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200462 logg= -0.006234 ETOT= -17.783725 -17.793980 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200678 logg= -0.006638 ETOT= -17.784103 -17.795659 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201896 logg= -0.007055 ETOT= -17.768772 -17.780676 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201655 logg= -0.007066 ETOT= -17.772114 -17.784213 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 7.100166 logg= -0.003063 ETOT= -8.894617 -8.899283 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.205060 logg= -0.008594 ETOT= -17.749083 -17.766432 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.200523 logg= -0.006218 ETOT= -17.781205 -17.791337 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200981 logg= -0.006625 ETOT= -17.779244 -17.790573 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201896 logg= -0.007056 ETOT= -17.768773 -17.780676 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.204054 logg= -0.008161 ETOT= -17.753007 -17.769005 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.201242 logg= -0.007036 ETOT= -17.777917 -17.790216 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202804 logg= -0.007564 ETOT= -17.760169 -17.773757 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.204054 logg= -0.008161 ETOT= -17.753007 -17.769005 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 7.100113 logg= -0.003026 ETOT= -8.892574 -8.896853 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.200481 logg= -0.006636 ETOT= -17.789681 -17.801345 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100066 logg= -0.003011 ETOT= -8.891387 -8.895907 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=702 Density= 14.202501 logg= -0.007513 ETOT= -17.764075 -17.777008 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200482 logg= -0.006636 ETOT= -17.789680 -17.801344 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201241 logg= -0.007036 ETOT= -17.777917 -17.790217 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.200394 logg= -0.006282 ETOT= -17.787993 -17.798428 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200399 logg= -0.006283 ETOT= -17.787992 -17.798425 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200680 logg= -0.006638 ETOT= -17.784102 -17.795658 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100415 logg= -0.003249 ETOT= -8.899202 -8.905589 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 7.100109 logg= -0.003025 ETOT= -8.892573 -8.896855 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=701 Density= 7.100255 logg= -0.003136 ETOT= -8.896980 -8.902523 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100169 logg= -0.003063 ETOT= -8.894616 -8.899282 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100611 logg= -0.003366 ETOT= -8.900840 -8.907865 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.200460 logg= -0.006383 ETOT= -17.792904 -17.803662 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100612 logg= -0.003366 ETOT= -8.900839 -8.907865 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.203429 logg= -0.007918 ETOT= -17.757092 -17.771927 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.201927 logg= -0.007347 ETOT= -17.770625 -17.783356 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201067 logg= -0.006678 ETOT= -17.800527 -17.814144 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=698 Density= 7.100073 logg= -0.003012 ETOT= -8.891390 -8.895905 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=703 Density= 14.202501 logg= -0.007513 ETOT= -17.764075 -17.777008 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Sum of eigenvalues= -10220.5326061749 eV TrLogG= -10227.4407496771 eV Ratio to renormalize= 0.999989205826 rho-rho_expected= 0.006476574503 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 1) Finished k-point number 2 1 with #bands= 456 39) Finished k-point number 40 1 with #bands= 456 2) Finished k-point number 3 1 with #bands= 458 38) Finished k-point number 39 1 with #bands= 454 37) Finished k-point number 38 1 with #bands= 454 35) Finished k-point number 36 1 with #bands= 454 36) Finished k-point number 37 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 34) Finished k-point number 35 1 with #bands= 456 46) Finished k-point number 47 1 with #bands= 456 9) Finished k-point number 10 1 with #bands= 458 17) Finished k-point number 18 1 with #bands= 458 20) Finished k-point number 21 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 45) Finished k-point number 46 1 with #bands= 452 28) Finished k-point number 29 1 with #bands= 454 30) Finished k-point number 31 1 with #bands= 452 32) Finished k-point number 33 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 44) Finished k-point number 45 1 with #bands= 452 0) Finished k-point number 1 1 with #bands= 458 43) Finished k-point number 44 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 7) Finished k-point number 8 1 with #bands= 456 33) Finished k-point number 34 1 with #bands= 456 8) Finished k-point number 9 1 with #bands= 456 6) Finished k-point number 7 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 23) Finished k-point number 24 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 27) Finished k-point number 28 1 with #bands= 452 18) Finished k-point number 19 1 with #bands= 452 26) Finished k-point number 27 1 with #bands= 454 24) Finished k-point number 25 1 with #bands= 454 47) Finished k-point number 48 1 with #bands= 460 16) Finished k-point number 17 1 with #bands= 458 14) Finished k-point number 15 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 25) Finished k-point number 26 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 13) Finished k-point number 14 1 with #bands= 452 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745161433200092 0.745222715886966 0.760994012573638 0.761017970856079 0.760573777310955 0.760581347023734 5.281550145399032E-006 5.281550145399032E-006 -4.184612581402450E-004 0.745161431104439 0.745222719193810 0.760994016705731 0.761017964726294 0.760573777056902 0.760581347326627 -5.274665658869928E-006 -5.274665658869928E-006 -4.184601992397257E-004 0.745202373446859 0.745189698328797 0.760972784148387 0.761031664573442 0.760591388044789 0.760564228020682 5.259590249027056E-006 5.259590249027056E-006 -4.299148748799121E-004 0.745202373655908 0.745189693663141 0.760972794696828 0.761031658021855 0.760591387135391 0.760564228905993 -5.243985023942002E-006 -5.243985023942002E-006 -4.299056662179559E-004 0.745221388936701 0.745161694370995 0.761019846123180 0.760996586994695 0.760582374036639 0.760574794233552 5.142076543378961E-006 5.142076543378961E-006 -4.299503603474440E-004 0.745221376275081 0.745161691894244 0.761019854429795 0.760996593758275 0.760582375958086 0.760574792348880 -5.128416958640926E-006 -5.128416958640926E-006 -4.299532464039277E-004 0.745185547380763 0.745202876813085 0.761034185978645 0.760977205470989 0.760564628823038 0.760592083987350 4.877185178374546E-006 4.877185178374546E-006 -4.093890725796552E-004 0.745185537417124 0.745202879395469 0.761034187002979 0.760977211270337 0.760564634107588 0.760592078674195 -4.860027208582280E-006 -4.860027208582280E-006 -4.093923166345633E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200970 logg= -0.007052 ETOT= -17.784231 -17.796227 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202160 logg= -0.007467 ETOT= -17.768914 -17.781257 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.203089 logg= -0.007973 ETOT= -17.760294 -17.774318 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200836 logg= -0.007009 ETOT= -17.794503 -17.806415 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200796 logg= -0.007051 ETOT= -17.789795 -17.801899 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201246 logg= -0.007040 ETOT= -17.779388 -17.791156 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201443 logg= -0.007035 ETOT= -17.776564 -17.788188 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200710 logg= -0.006652 ETOT= -17.783880 -17.794576 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200767 logg= -0.006636 ETOT= -17.781366 -17.791937 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.204373 logg= -0.008568 ETOT= -17.753110 -17.769544 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201359 logg= -0.007092 ETOT= -17.800655 -17.814707 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=698 Density= 14.205405 logg= -0.008999 ETOT= -17.749169 -17.766955 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=686 Density= 14.201014 logg= -0.006949 ETOT= -17.797532 -17.810355 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.200739 logg= -0.006800 ETOT= -17.793042 -17.804237 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 7.100188 logg= -0.003221 ETOT= -8.891470 -8.896210 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200742 logg= -0.006800 ETOT= -17.793040 -17.804235 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100293 logg= -0.003273 ETOT= -8.894696 -8.899578 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200761 logg= -0.006635 ETOT= -17.781362 -17.791939 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.203088 logg= -0.007973 ETOT= -17.760295 -17.774319 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100757 logg= -0.003573 ETOT= -8.900904 -8.908147 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 3.550427 logg= -0.001813 ETOT= -4.450742 -4.454487 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=672 Density= 14.201934 logg= -0.007478 ETOT= -17.772247 -17.784786 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100231 logg= -0.003235 ETOT= -8.892655 -8.897157 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201015 logg= -0.006949 ETOT= -17.797531 -17.810354 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.200798 logg= -0.007051 ETOT= -17.789794 -17.801899 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.204373 logg= -0.008568 ETOT= -17.753110 -17.769544 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.201442 logg= -0.007035 ETOT= -17.776564 -17.788189 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201544 logg= -0.007449 ETOT= -17.778037 -17.790776 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201101 logg= -0.007306 ETOT= -17.784399 -17.797045 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.202230 logg= -0.007757 ETOT= -17.770742 -17.783913 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200716 logg= -0.006653 ETOT= -17.783881 -17.794574 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 7.100387 logg= -0.003345 ETOT= -8.897055 -8.902815 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201248 logg= -0.007040 ETOT= -17.779388 -17.791156 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100757 logg= -0.003573 ETOT= -8.900904 -8.908147 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.200662 logg= -0.006700 ETOT= -17.788140 -17.799013 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100553 logg= -0.003457 ETOT= -8.899272 -8.905876 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.200972 logg= -0.007052 ETOT= -17.784230 -17.796226 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100385 logg= -0.003345 ETOT= -8.897056 -8.902816 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=693 Density= 7.100554 logg= -0.003457 ETOT= -8.899272 -8.905876 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.100291 logg= -0.003273 ETOT= -8.894697 -8.899579 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201934 logg= -0.007478 ETOT= -17.772247 -17.784785 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100235 logg= -0.003236 ETOT= -8.892657 -8.897156 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202796 logg= -0.007922 ETOT= -17.764195 -17.777567 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100195 logg= -0.003222 ETOT= -8.891473 -8.896208 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202160 logg= -0.007467 ETOT= -17.768914 -17.781257 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.203740 logg= -0.008326 ETOT= -17.757201 -17.772472 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200666 logg= -0.006700 ETOT= -17.788139 -17.799010 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201545 logg= -0.007449 ETOT= -17.778036 -17.790775 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202796 logg= -0.007922 ETOT= -17.764196 -17.777567 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Sum of eigenvalues= -10220.6091355507 eV TrLogG= -10227.7690558632 eV Ratio to renormalize= 0.999969295006 rho-rho_expected= 0.018423561885 nargs= 1 argi=dmft2.def 30) Finished k-point number 31 1 with #bands= 452 23) Finished k-point number 24 1 with #bands= 458 16) Finished k-point number 17 1 with #bands= 458 33) Finished k-point number 34 1 with #bands= 456 31) Finished k-point number 32 1 with #bands= 452 25) Finished k-point number 26 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 15) Finished k-point number 16 1 with #bands= 458 27) Finished k-point number 28 1 with #bands= 452 36) Finished k-point number 37 1 with #bands= 452 35) Finished k-point number 36 1 with #bands= 454 37) Finished k-point number 38 1 with #bands= 454 29) Finished k-point number 30 1 with #bands= 452 5) Finished k-point number 6 1 with #bands= 454 32) Finished k-point number 33 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 2) Finished k-point number 3 1 with #bands= 458 26) Finished k-point number 27 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 38) Finished k-point number 39 1 with #bands= 454 42) Finished k-point number 43 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 12) Finished k-point number 13 1 with #bands= 454 18) Finished k-point number 19 1 with #bands= 452 3) Finished k-point number 4 1 with #bands= 456 45) Finished k-point number 46 1 with #bands= 452 4) Finished k-point number 5 1 with #bands= 454 14) Finished k-point number 15 1 with #bands= 458 24) Finished k-point number 25 1 with #bands= 454 19) Finished k-point number 20 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 48) Finished k-point number 49 1 with #bands= 464 0) Finished k-point number 1 1 with #bands= 458 10) Finished k-point number 11 1 with #bands= 458 1) Finished k-point number 2 1 with #bands= 456 17) Finished k-point number 18 1 with #bands= 458 47) Finished k-point number 48 1 with #bands= 460 28) Finished k-point number 29 1 with #bands= 454 21) Finished k-point number 22 1 with #bands= 456 20) Finished k-point number 21 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 44) Finished k-point number 45 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 6) Finished k-point number 7 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 8) Finished k-point number 9 1 with #bands= 456 11) Finished k-point number 12 1 with #bands= 452 40) Finished k-point number 41 1 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745174942279429 0.745242030203167 0.761009691816087 0.761030987237769 0.760590765644141 0.760596999480553 -2.438863366046961E-006 -2.438863366046961E-006 -4.137040466742514E-004 0.745174938305087 0.745242030678251 0.761009692187315 0.761030989908718 0.760590759434080 0.760597005748339 2.447796255302096E-006 2.447796255302096E-006 -4.137017594525017E-004 0.745216042982577 0.745203800528701 0.760986755701470 0.761053319189671 0.760610448668571 0.760583885458777 8.044268748966831E-006 8.044268748966831E-006 -4.377334444936136E-004 0.745216041202795 0.745203796900558 0.760986760414361 0.761053320607811 0.760610447822493 0.760583886237761 -8.036386132746627E-006 -8.036386132746627E-006 -4.377325355796710E-004 0.745241265712781 0.745179548660548 0.761035045006021 0.761009755428199 0.760599431488573 0.760592841254104 -2.112640525001162E-007 -2.112640525001162E-007 -4.270882640925564E-004 0.745241259946001 0.745179549088133 0.761035047047151 0.761009758655244 0.760599436429374 0.760592836320946 2.287518861046162E-007 2.287518861046162E-007 -4.270865609586666E-004 0.745205634861444 0.745217988246482 0.761054447706281 0.760989982403169 0.760587151840453 0.760610885853742 5.598598065345585E-006 5.598598065345585E-006 -4.147836427505577E-004 0.745205633181904 0.745217992423269 0.761054444578160 0.760989982925439 0.760587150458009 0.760610887261833 -5.585143664716241E-006 -5.585143664716241E-006 -4.147834300031961E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201012 logg= -0.006176 ETOT= -17.781955 -17.792003 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201228 logg= -0.006487 ETOT= -17.798135 -17.810423 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.202176 logg= -0.007022 ETOT= -17.772843 -17.784857 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200968 logg= -0.006338 ETOT= -17.793637 -17.804303 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201229 logg= -0.006487 ETOT= -17.798134 -17.810422 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=699 Density= 14.202405 logg= -0.007013 ETOT= -17.769511 -17.781328 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201026 logg= -0.006590 ETOT= -17.790391 -17.801971 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201694 logg= -0.006577 ETOT= -17.777153 -17.788253 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200952 logg= -0.006189 ETOT= -17.784471 -17.794641 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201054 logg= -0.006547 ETOT= -17.795105 -17.806489 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.204528 logg= -0.008116 ETOT= -17.753764 -17.769658 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100408 logg= -0.003042 ETOT= -8.894992 -8.899608 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100501 logg= -0.003114 ETOT= -8.897351 -8.902845 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.205509 logg= -0.008547 ETOT= -17.749855 -17.767099 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.200901 logg= -0.006239 ETOT= -17.788729 -17.799079 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.203303 logg= -0.007521 ETOT= -17.760911 -17.774396 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 7.100353 logg= -0.003005 ETOT= -8.892952 -8.897193 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201495 logg= -0.006581 ETOT= -17.779976 -17.791221 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100661 logg= -0.003226 ETOT= -8.899573 -8.905909 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 7.100855 logg= -0.003342 ETOT= -8.901211 -8.908185 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=689 Density= 7.100349 logg= -0.003004 ETOT= -8.892950 -8.897195 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200959 logg= -0.006192 ETOT= -17.784469 -17.794639 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201214 logg= -0.006593 ETOT= -17.784820 -17.796292 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.203013 logg= -0.007469 ETOT= -17.764810 -17.777650 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100499 logg= -0.003114 ETOT= -8.897352 -8.902845 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201561 logg= -0.006631 ETOT= -17.801266 -17.814781 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 7.100306 logg= -0.002990 ETOT= -8.891766 -8.896251 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202176 logg= -0.007022 ETOT= -17.772843 -17.784857 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=699 Density= 14.201005 logg= -0.006174 ETOT= -17.781951 -17.792005 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201212 logg= -0.006593 ETOT= -17.784821 -17.796293 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=697 Density= 14.201782 logg= -0.006992 ETOT= -17.778633 -17.790847 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201027 logg= -0.006590 ETOT= -17.790390 -17.801970 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100660 logg= -0.003226 ETOT= -8.899574 -8.905910 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.201497 logg= -0.006581 ETOT= -17.779976 -17.791220 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 3.550474 logg= -0.001698 ETOT= -4.450897 -4.454507 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 7.100312 logg= -0.002992 ETOT= -8.891769 -8.896249 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201693 logg= -0.006577 ETOT= -17.777152 -17.788254 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.203303 logg= -0.007521 ETOT= -17.760911 -17.774397 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.201782 logg= -0.006992 ETOT= -17.778633 -17.790847 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.203921 logg= -0.007874 ETOT= -17.757838 -17.772569 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.201334 logg= -0.006847 ETOT= -17.784996 -17.797117 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.204528 logg= -0.008116 ETOT= -17.753764 -17.769658 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200971 logg= -0.006338 ETOT= -17.793635 -17.804301 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.202456 logg= -0.007303 ETOT= -17.771348 -17.783994 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200905 logg= -0.006239 ETOT= -17.788728 -17.799077 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100855 logg= -0.003342 ETOT= -8.901211 -8.908185 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.202404 logg= -0.007013 ETOT= -17.769510 -17.781328 Density= 7.100411 logg= -0.003042 ETOT= -8.894991 -8.899607 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203014 logg= -0.007469 ETOT= -17.764809 -17.777650 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Sum of eigenvalues= -10220.9558148269 eV TrLogG= -10227.8118651620 eV Ratio to renormalize= 0.999953529648 rho-rho_expected= 0.027883506791 nargs= 1 argi=dmft2.def 23) Finished k-point number 24 1 with #bands= 458 45) Finished k-point number 46 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 35) Finished k-point number 36 1 with #bands= 454 21) Finished k-point number 22 1 with #bands= 456 30) Finished k-point number 31 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 32) Finished k-point number 33 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 1) Finished k-point number 2 1 with #bands= 456 0) Finished k-point number 1 1 with #bands= 458 39) Finished k-point number 40 1 with #bands= 456 3) Finished k-point number 4 1 with #bands= 456 18) Finished k-point number 19 1 with #bands= 452 37) Finished k-point number 38 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 33) Finished k-point number 34 1 with #bands= 456 48) Finished k-point number 49 1 with #bands= 464 4) Finished k-point number 5 1 with #bands= 454 44) Finished k-point number 45 1 with #bands= 452 29) Finished k-point number 30 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 24) Finished k-point number 25 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 5) Finished k-point number 6 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 17) Finished k-point number 18 1 with #bands= 458 16) Finished k-point number 17 1 with #bands= 458 27) Finished k-point number 28 1 with #bands= 452 26) Finished k-point number 27 1 with #bands= 454 31) Finished k-point number 32 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 38) Finished k-point number 39 1 with #bands= 454 20) Finished k-point number 21 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 36) Finished k-point number 37 1 with #bands= 454 41) Finished k-point number 42 1 with #bands= 460 28) Finished k-point number 29 1 with #bands= 454 40) Finished k-point number 41 1 with #bands= 460 11) Finished k-point number 12 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 12) Finished k-point number 13 1 with #bands= 454 9) Finished k-point number 10 1 with #bands= 458 13) Finished k-point number 14 1 with #bands= 452 42) Finished k-point number 43 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 7) Finished k-point number 8 1 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745169802101383 0.745233455960803 0.761001348014850 0.761024668164472 0.760579465305191 0.760587056343732 7.833631581824689E-007 7.833631581824689E-007 -4.122631847296051E-004 0.745169804783596 0.745233462064863 0.761001340100274 0.761024666652389 0.760579471278571 0.760587050427212 -7.746917412945637E-007 -7.746917412945637E-007 -4.122607679508996E-004 0.745202138813642 0.745189012182384 0.760987425912971 0.761049475225312 0.760595682868498 0.760571274865436 2.479640323428268E-006 2.479640323428268E-006 -4.333954980410475E-004 0.745202140104229 0.745188999163177 0.760987429414449 0.761049485239648 0.760595682735045 0.760571274924164 -2.471003775760041E-006 -2.471003775760041E-006 -4.334011233643417E-004 0.745233977302454 0.745174615533791 0.761029233464834 0.761000669649820 0.760589983216471 0.760581625882335 2.826848265773934E-007 2.826848265773934E-007 -4.259776933285694E-004 0.745233956610890 0.745174587662545 0.761029228461804 0.761000722814370 0.760589975893579 0.760581633195746 -2.314480617850341E-007 -2.314480617850341E-007 -4.259860030336349E-004 0.745188056058700 0.745205789953006 0.761049519856783 0.760993416013601 0.760574986201748 0.760595888383001 1.959197249124460E-006 1.959197249124460E-006 -4.126202929734518E-004 0.745188013617515 0.745205791235040 0.761049520112289 0.760993458039130 0.760574993777605 0.760595880694264 -1.925291580536785E-006 -1.925291580536785E-006 -4.126393305756975E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201379 logg= -0.006859 ETOT= -17.776983 -17.788421 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.205303 logg= -0.008828 ETOT= -17.749617 -17.767211 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.200685 logg= -0.006624 ETOT= -17.793459 -17.804463 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200953 logg= -0.006773 ETOT= -17.797955 -17.810584 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.202086 logg= -0.007293 ETOT= -17.769341 -17.781497 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.200733 logg= -0.006875 ETOT= -17.790216 -17.802134 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200708 logg= -0.006460 ETOT= -17.781782 -17.792167 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.204277 logg= -0.008396 ETOT= -17.753554 -17.769796 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200609 logg= -0.006524 ETOT= -17.788553 -17.799240 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201033 logg= -0.007130 ETOT= -17.784823 -17.797282 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.202087 logg= -0.007293 ETOT= -17.769341 -17.781496 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 7.100525 logg= -0.003369 ETOT= -8.899482 -8.905989 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 3.550409 logg= -0.001769 ETOT= -4.450851 -4.454546 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=673 Density= 14.203003 logg= -0.007801 ETOT= -17.760731 -17.774563 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201378 logg= -0.006859 ETOT= -17.776982 -17.788422 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.200654 logg= -0.006475 ETOT= -17.784294 -17.794805 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200734 logg= -0.006875 ETOT= -17.790215 -17.802133 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203646 logg= -0.008154 ETOT= -17.757643 -17.772721 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.202712 logg= -0.007749 ETOT= -17.764631 -17.777813 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201860 logg= -0.007303 ETOT= -17.772674 -17.785026 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100524 logg= -0.003369 ETOT= -8.899483 -8.905990 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.202150 logg= -0.007584 ETOT= -17.771174 -17.784158 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200908 logg= -0.006876 ETOT= -17.784650 -17.796460 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100208 logg= -0.003148 ETOT= -8.892864 -8.897271 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201292 logg= -0.006918 ETOT= -17.801082 -17.814940 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=698 Density= 14.201183 logg= -0.006863 ETOT= -17.779806 -17.791389 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201185 logg= -0.006864 ETOT= -17.779806 -17.791388 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100361 logg= -0.003257 ETOT= -8.897262 -8.902926 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 7.100722 logg= -0.003486 ETOT= -8.901119 -8.908264 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.200688 logg= -0.006624 ETOT= -17.793457 -17.804462 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 7.100362 logg= -0.003257 ETOT= -8.897261 -8.902925 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.200659 logg= -0.006476 ETOT= -17.784295 -17.794802 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.202711 logg= -0.007749 ETOT= -17.764631 -17.777813 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.200910 logg= -0.006876 ETOT= -17.784649 -17.796458 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200954 logg= -0.006773 ETOT= -17.797953 -17.810583 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100267 logg= -0.003184 ETOT= -8.894902 -8.899689 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200702 logg= -0.006458 ETOT= -17.781778 -17.792169 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201473 logg= -0.007274 ETOT= -17.778462 -17.791014 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200771 logg= -0.006833 ETOT= -17.794927 -17.806649 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100203 logg= -0.003147 ETOT= -8.892862 -8.897273 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100164 logg= -0.003134 ETOT= -8.891682 -8.896327 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.204276 logg= -0.008396 ETOT= -17.753554 -17.769796 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100158 logg= -0.003132 ETOT= -8.891679 -8.896329 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100269 logg= -0.003185 ETOT= -8.894902 -8.899688 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201473 logg= -0.007274 ETOT= -17.778462 -17.791014 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.203003 logg= -0.007801 ETOT= -17.760731 -17.774563 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201861 logg= -0.007303 ETOT= -17.772673 -17.785025 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100722 logg= -0.003486 ETOT= -8.901118 -8.908264 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.200614 logg= -0.006524 ETOT= -17.788552 -17.799238 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Sum of eigenvalues= -10220.8529530109 eV TrLogG= -10227.9043998516 eV Ratio to renormalize= 0.999974090239 rho-rho_expected= 0.015546259477 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 454 2) Finished k-point number 3 1 with #bands= 458 1) Finished k-point number 2 1 with #bands= 456 3) Finished k-point number 4 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 31) Finished k-point number 32 1 with #bands= 452 30) Finished k-point number 31 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 44) Finished k-point number 45 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 0) Finished k-point number 1 1 with #bands= 458 39) Finished k-point number 40 1 with #bands= 456 32) Finished k-point number 33 1 with #bands= 452 37) Finished k-point number 38 1 with #bands= 454 35) Finished k-point number 36 1 with #bands= 454 36) Finished k-point number 37 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 18) Finished k-point number 19 1 with #bands= 452 29) Finished k-point number 30 1 with #bands= 452 28) Finished k-point number 29 1 with #bands= 454 47) Finished k-point number 48 1 with #bands= 460 9) Finished k-point number 10 1 with #bands= 458 23) Finished k-point number 24 1 with #bands= 458 43) Finished k-point number 44 1 with #bands= 452 27) Finished k-point number 28 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 33) Finished k-point number 34 1 with #bands= 456 17) Finished k-point number 18 1 with #bands= 458 41) Finished k-point number 42 1 with #bands= 460 48) Finished k-point number 49 1 with #bands= 464 21) Finished k-point number 22 1 with #bands= 456 22) Finished k-point number 23 1 with #bands= 458 26) Finished k-point number 27 1 with #bands= 454 20) Finished k-point number 21 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 14) Finished k-point number 15 1 with #bands= 458 15) Finished k-point number 16 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 24) Finished k-point number 25 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 6) Finished k-point number 7 1 with #bands= 452 40) Finished k-point number 41 1 with #bands= 460 13) Finished k-point number 14 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 11) Finished k-point number 12 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 12) Finished k-point number 13 1 with #bands= 454 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745159773197111 0.745223133448172 0.760994302115157 0.761014282354151 0.760574950199383 0.760579243327187 1.494522302391091E-006 1.494522302391091E-006 -4.137255838247597E-004 0.745159767559152 0.745223138799239 0.760994293825141 0.761014291002102 0.760574948464116 0.760579245103158 -1.479739141909229E-006 -1.479739141909229E-006 -4.137218470784390E-004 0.745197853547911 0.745186452637324 0.760972895170491 0.761033101444696 0.760588222448220 0.760566294193797 5.214064360065211E-006 5.214064360065211E-006 -4.330396059915115E-004 0.745197852588783 0.745186455333517 0.760972894438586 0.761033100292782 0.760588222442558 0.760566294211733 -5.199419013515308E-006 -5.199419013515308E-006 -4.330459737249588E-004 0.745223073031432 0.745166276118204 0.761015228604514 0.760993386197796 0.760581444066072 0.760576313634826 2.147119950592165E-006 2.147119950592165E-006 -4.269205420578232E-004 0.745223078905772 0.745166251235341 0.761015242244799 0.760993392384491 0.760581436121455 0.760576321577770 -2.126632144704781E-006 -2.126632144704781E-006 -4.269315205469469E-004 0.745181934850784 0.745201096656345 0.761031567944947 0.760981257746144 0.760567151979464 0.760589966387675 3.617584407919523E-006 3.617584407919523E-006 -4.152487747156967E-004 0.745181943087847 0.745201089340537 0.761031569006581 0.760981254501104 0.760567156818272 0.760589961524385 -3.598542464601781E-006 -3.598542464601781E-006 -4.152522560344966E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201484 logg= -0.005875 ETOT= -17.793050 -17.803173 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201743 logg= -0.006024 ETOT= -17.797550 -17.809297 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.202000 logg= -0.006118 ETOT= -17.779396 -17.790091 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.205059 logg= -0.007651 ETOT= -17.753167 -17.768518 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.201745 logg= -0.006024 ETOT= -17.797548 -17.809296 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201516 logg= -0.005711 ETOT= -17.781370 -17.790872 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.202198 logg= -0.006113 ETOT= -17.776571 -17.787123 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.202907 logg= -0.006549 ETOT= -17.768930 -17.780198 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.206062 logg= -0.008082 ETOT= -17.749244 -17.765945 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=684 Density= 14.201481 logg= -0.005875 ETOT= -17.793052 -17.803174 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201411 logg= -0.005775 ETOT= -17.788145 -17.797948 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201533 logg= -0.006129 ETOT= -17.789813 -17.800844 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201564 logg= -0.006085 ETOT= -17.794524 -17.805362 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201510 logg= -0.005710 ETOT= -17.781367 -17.790873 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.202197 logg= -0.006113 ETOT= -17.776570 -17.787123 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.203812 logg= -0.007056 ETOT= -17.760327 -17.773271 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202281 logg= -0.006530 ETOT= -17.778059 -17.789723 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100557 logg= -0.002757 ETOT= -8.891473 -8.895682 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201998 logg= -0.006118 ETOT= -17.779396 -17.790093 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 3.550604 logg= -0.001582 ETOT= -4.450750 -4.454225 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 7.100607 logg= -0.002773 ETOT= -8.892658 -8.896625 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201834 logg= -0.006386 ETOT= -17.784422 -17.795994 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=692 Density= 14.201715 logg= -0.006131 ETOT= -17.784244 -17.795168 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201531 logg= -0.006129 ETOT= -17.789814 -17.800845 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.201460 logg= -0.005727 ETOT= -17.783884 -17.793510 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.202281 logg= -0.006530 ETOT= -17.778059 -17.789724 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 7.100920 logg= -0.002994 ETOT= -8.899279 -8.905346 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 7.100668 logg= -0.002810 ETOT= -8.894697 -8.899043 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202078 logg= -0.006167 ETOT= -17.800679 -17.813655 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=694 Density= 14.202676 logg= -0.006559 ETOT= -17.772266 -17.783730 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100603 logg= -0.002772 ETOT= -8.892657 -8.896627 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201465 logg= -0.005727 ETOT= -17.783885 -17.793508 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=695 Density= 14.202906 logg= -0.006549 ETOT= -17.768930 -17.780198 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201717 logg= -0.006131 ETOT= -17.784243 -17.795166 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.205059 logg= -0.007651 ETOT= -17.753167 -17.768518 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100919 logg= -0.002994 ETOT= -8.899280 -8.905346 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=688 Density= 14.203519 logg= -0.007005 ETOT= -17.764229 -17.776522 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202677 logg= -0.006559 ETOT= -17.772266 -17.783730 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201415 logg= -0.005775 ETOT= -17.788144 -17.797945 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.101114 logg= -0.003111 ETOT= -8.900917 -8.907622 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 7.100758 logg= -0.002882 ETOT= -8.897058 -8.902282 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 7.100760 logg= -0.002882 ETOT= -8.897057 -8.902281 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.202957 logg= -0.006840 ETOT= -17.770772 -17.782868 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=692 Density= 14.203812 logg= -0.007056 ETOT= -17.760328 -17.773271 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100665 logg= -0.002809 ETOT= -8.894697 -8.899044 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.101115 logg= -0.003111 ETOT= -8.900917 -8.907622 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=688 Density= 14.203519 logg= -0.007005 ETOT= -17.764229 -17.776522 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.204440 logg= -0.007409 ETOT= -17.757249 -17.771438 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 7.100563 logg= -0.002759 ETOT= -8.891476 -8.895680 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Sum of eigenvalues= -10220.6202818404 eV TrLogG= -10227.1627111008 eV Ratio to renormalize= 0.999917645619 rho-rho_expected= 0.049416698124 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 452 48) Finished k-point number 49 1 with #bands= 464 45) Finished k-point number 46 1 with #bands= 452 34) Finished k-point number 35 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 30) Finished k-point number 31 1 with #bands= 452 37) Finished k-point number 38 1 with #bands= 454 23) Finished k-point number 24 1 with #bands= 458 28) Finished k-point number 29 1 with #bands= 454 29) Finished k-point number 30 1 with #bands= 452 32) Finished k-point number 33 1 with #bands= 452 36) Finished k-point number 37 1 with #bands= 454 19) Finished k-point number 20 1 with #bands= 454 5) Finished k-point number 6 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 25) Finished k-point number 26 1 with #bands= 452 46) Finished k-point number 47 1 with #bands= 456 39) Finished k-point number 40 1 with #bands= 456 26) Finished k-point number 27 1 with #bands= 454 1) Finished k-point number 2 1 with #bands= 456 40) Finished k-point number 41 1 with #bands= 460 0) Finished k-point number 1 1 with #bands= 458 35) Finished k-point number 36 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 27) Finished k-point number 28 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 2) Finished k-point number 3 1 with #bands= 458 24) Finished k-point number 25 1 with #bands= 454 15) Finished k-point number 16 1 with #bands= 458 47) Finished k-point number 48 1 with #bands= 460 20) Finished k-point number 21 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 14) Finished k-point number 15 1 with #bands= 458 4) Finished k-point number 5 1 with #bands= 454 17) Finished k-point number 18 1 with #bands= 458 18) Finished k-point number 19 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 44) Finished k-point number 45 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 13) Finished k-point number 14 1 with #bands= 452 42) Finished k-point number 43 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 41) Finished k-point number 42 1 with #bands= 460 12) Finished k-point number 13 1 with #bands= 454 9) Finished k-point number 10 1 with #bands= 458 7) Finished k-point number 8 1 with #bands= 456 6) Finished k-point number 7 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 10) Finished k-point number 11 1 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745161658107248 0.745222869000700 0.760994757510077 0.761013596542245 0.760574124618654 0.760578472882992 1.684013522110617E-007 1.684013522110617E-007 -4.130466913179510E-004 0.745161660749771 0.745222865269264 0.760994757116020 0.761013596027876 0.760574128492709 0.760578469063718 -1.614434187794694E-007 -1.614434187794694E-007 -4.130507776999045E-004 0.745194680884630 0.745185081231265 0.760975558120407 0.761037364277958 0.760589737996485 0.760563349568718 6.245612205211730E-006 6.245612205211730E-006 -4.338069859717252E-004 0.745194687576092 0.745185072994564 0.760975561617294 0.761037363587050 0.760589738518300 0.760563349069415 -6.231594605366614E-006 -6.231594605366614E-006 -4.338091386112369E-004 0.745221942449462 0.745164599789405 0.761017561224601 0.760993506017257 0.760579232661630 0.760575919286498 2.575952651183056E-006 2.575952651183056E-006 -4.273002046710530E-004 0.745221943363200 0.745164612202744 0.761017553962409 0.760993499296365 0.760579231510948 0.760575920450283 -2.558811579231071E-006 -2.558811579231071E-006 -4.273007806950928E-004 0.745183058888105 0.745198570558883 0.761035715498766 0.760979509710778 0.760562959077818 0.760591661738118 6.258033531852747E-006 6.258033531852747E-006 -4.141160646385021E-004 0.745183029970653 0.745198564357197 0.761035725122077 0.760979540640738 0.760562959721992 0.760591661133553 -6.235728798305022E-006 -6.235728798305022E-006 -4.141352277354167E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200822 logg= -0.006351 ETOT= -17.788358 -17.798835 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200863 logg= -0.006303 ETOT= -17.784101 -17.794402 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200951 logg= -0.006703 ETOT= -17.790018 -17.801726 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200910 logg= -0.006286 ETOT= -17.781586 -17.791768 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200952 logg= -0.006703 ETOT= -17.790017 -17.801725 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100307 logg= -0.003061 ETOT= -8.892769 -8.897072 Density= 14.201598 logg= -0.006689 ETOT= -17.776787 -17.788016 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200980 logg= -0.006659 ETOT= -17.794732 -17.806246 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100622 logg= -0.003282 ETOT= -8.899389 -8.905792 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 7.100621 logg= -0.003282 ETOT= -8.899390 -8.905793 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 7.100368 logg= -0.003098 ETOT= -8.894808 -8.899490 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202304 logg= -0.007126 ETOT= -17.769151 -17.781095 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.202909 logg= -0.007582 ETOT= -17.764455 -17.777424 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200818 logg= -0.006351 ETOT= -17.788359 -17.798837 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.202304 logg= -0.007126 ETOT= -17.769151 -17.781095 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201484 logg= -0.006744 ETOT= -17.800897 -17.814547 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=698 Density= 14.200916 logg= -0.006288 ETOT= -17.781590 -17.791766 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201133 logg= -0.006705 ETOT= -17.784450 -17.796049 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200893 logg= -0.006451 ETOT= -17.793265 -17.804061 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=699 Density= 14.203804 logg= -0.007987 ETOT= -17.757492 -17.772356 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.201256 logg= -0.006959 ETOT= -17.784624 -17.796873 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.201406 logg= -0.006693 ETOT= -17.779609 -17.790981 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201695 logg= -0.007104 ETOT= -17.778266 -17.790607 Density= 14.200890 logg= -0.006451 ETOT= -17.793266 -17.804063 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.203192 logg= -0.007634 ETOT= -17.760561 -17.774180 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.201131 logg= -0.006705 ETOT= -17.784451 -17.796051 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=697 Density= 14.205375 logg= -0.008660 ETOT= -17.749519 -17.766893 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 7.100459 logg= -0.003170 ETOT= -8.897168 -8.902728 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 3.550455 logg= -0.001726 ETOT= -4.450805 -4.454449 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.201153 logg= -0.006599 ETOT= -17.797764 -17.810187 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=697 Density= 14.201696 logg= -0.007104 ETOT= -17.778266 -17.790607 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202080 logg= -0.007135 ETOT= -17.772481 -17.784622 Density= 7.100257 logg= -0.003046 ETOT= -8.891584 -8.896129 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100366 logg= -0.003098 ETOT= -8.894808 -8.899491 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100817 logg= -0.003399 ETOT= -8.901027 -8.908069 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=686 Density= 14.202361 logg= -0.007415 ETOT= -17.770987 -17.783759 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201407 logg= -0.006694 ETOT= -17.779609 -17.790980 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100263 logg= -0.003047 ETOT= -8.891587 -8.896127 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201599 logg= -0.006690 ETOT= -17.776788 -17.788016 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201152 logg= -0.006600 ETOT= -17.797766 -17.810187 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=697 Density= 14.203192 logg= -0.007634 ETOT= -17.760561 -17.774180 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.204403 logg= -0.008229 ETOT= -17.753423 -17.769448 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100817 logg= -0.003399 ETOT= -8.901027 -8.908069 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 7.100303 logg= -0.003060 ETOT= -8.892767 -8.897074 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.204403 logg= -0.008229 ETOT= -17.753422 -17.769448 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 7.100461 logg= -0.003170 ETOT= -8.897167 -8.902728 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=694 Density= 14.202909 logg= -0.007582 ETOT= -17.764455 -17.777424 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200869 logg= -0.006304 ETOT= -17.784102 -17.794400 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.202081 logg= -0.007135 ETOT= -17.772481 -17.784621 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Sum of eigenvalues= -10220.7469057102 eV TrLogG= -10227.6773324245 eV Ratio to renormalize= 0.999959983923 rho-rho_expected= 0.024010606894 nargs= 1 argi=dmft2.def 34) Finished k-point number 35 1 with #bands= 456 23) Finished k-point number 24 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 24) Finished k-point number 25 1 with #bands= 454 32) Finished k-point number 33 1 with #bands= 452 35) Finished k-point number 36 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 37) Finished k-point number 38 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 47) Finished k-point number 48 1 with #bands= 460 30) Finished k-point number 31 1 with #bands= 452 27) Finished k-point number 28 1 with #bands= 452 39) Finished k-point number 40 1 with #bands= 456 3) Finished k-point number 4 1 with #bands= 456 25) Finished k-point number 26 1 with #bands= 452 15) Finished k-point number 16 1 with #bands= 458 17) Finished k-point number 18 1 with #bands= 458 26) Finished k-point number 27 1 with #bands= 454 19) Finished k-point number 20 1 with #bands= 454 1) Finished k-point number 2 1 with #bands= 456 0) Finished k-point number 1 1 with #bands= 458 43) Finished k-point number 44 1 with #bands= 452 18) Finished k-point number 19 1 with #bands= 452 28) Finished k-point number 29 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 11) Finished k-point number 12 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 10) Finished k-point number 11 1 with #bands= 458 5) Finished k-point number 6 1 with #bands= 454 36) Finished k-point number 37 1 with #bands= 454 14) Finished k-point number 15 1 with #bands= 458 31) Finished k-point number 32 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 45) Finished k-point number 46 1 with #bands= 452 20) Finished k-point number 21 1 with #bands= 452 16) Finished k-point number 17 1 with #bands= 458 44) Finished k-point number 45 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 4) Finished k-point number 5 1 with #bands= 454 13) Finished k-point number 14 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 7) Finished k-point number 8 1 with #bands= 456 12) Finished k-point number 13 1 with #bands= 454 40) Finished k-point number 41 1 with #bands= 460 41) Finished k-point number 42 1 with #bands= 460 9) Finished k-point number 10 1 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745179931001929 0.745238387189599 0.761003425392637 0.761022273732337 0.760587483635832 0.760595216610892 4.238448806111269E-006 4.238448806111269E-006 -4.148887618306435E-004 0.745179931753700 0.745238389711373 0.761003421394889 0.761022274022982 0.760587487851462 0.760595212480126 -4.229867623984339E-006 -4.229867623984339E-006 -4.148900172757570E-004 0.745214069953483 0.745200345068616 0.760986826734716 0.761043646657348 0.760601632702425 0.760581643950236 5.530241505120752E-006 5.530241505120752E-006 -4.312329964077709E-004 0.745214061906221 0.745200328727695 0.760986819007250 0.761043682383651 0.760601633951292 0.760581642595117 -5.529773457189956E-006 -5.529773457189956E-006 -4.312455458514436E-004 0.745236850474314 0.745181602848230 0.761023765774571 0.760998630369182 0.760595490555656 0.760586069262424 4.332654188644116E-006 4.332654188644116E-006 -4.273886459554737E-004 0.745236849420190 0.745181592754327 0.761023781329810 0.760998626828006 0.760595492116230 0.760586067734688 -4.313964121668664E-006 -4.313964121668664E-006 -4.273951203121905E-004 0.745200403280042 0.745213625086621 0.761039873362849 0.760987959996403 0.760580507862790 0.760600884157616 5.325046428129255E-006 5.325046428129255E-006 -4.131894463273167E-004 0.745200398631393 0.745213639577645 0.761039868568700 0.760987954466138 0.760580508785007 0.760600883153180 -5.308942961691001E-006 -5.308942961691001E-006 -4.131861363815061E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201051 logg= -0.006255 ETOT= -17.784562 -17.794805 Density= 14.201627 logg= -0.006646 ETOT= -17.780048 -17.791364 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201148 logg= -0.006613 ETOT= -17.795203 -17.806658 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201831 logg= -0.006642 ETOT= -17.777222 -17.788393 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.201104 logg= -0.006239 ETOT= -17.782043 -17.792167 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100338 logg= -0.003022 ETOT= -8.891822 -8.896344 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 14.201463 logg= -0.006913 ETOT= -17.785071 -17.797265 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.202325 logg= -0.007087 ETOT= -17.772905 -17.784991 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.201134 logg= -0.006656 ETOT= -17.790480 -17.802132 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.203175 logg= -0.007535 ETOT= -17.764864 -17.777777 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 7.100384 logg= -0.003036 ETOT= -8.893005 -8.897286 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 14.203175 logg= -0.007535 ETOT= -17.764864 -17.777777 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200995 logg= -0.006304 ETOT= -17.788826 -17.799246 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201335 logg= -0.006658 ETOT= -17.784901 -17.796444 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.201057 logg= -0.006404 ETOT= -17.793738 -17.804472 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201060 logg= -0.006404 ETOT= -17.793736 -17.804471 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100702 logg= -0.003259 ETOT= -8.899626 -8.905996 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201314 logg= -0.006553 ETOT= -17.798238 -17.810593 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201110 logg= -0.006240 ETOT= -17.782047 -17.792165 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.204715 logg= -0.008184 ETOT= -17.753804 -17.769770 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 3.550497 logg= -0.001714 ETOT= -4.450923 -4.454550 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=673 Density= 14.202555 logg= -0.007077 ETOT= -17.769570 -17.781460 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.204097 logg= -0.007941 ETOT= -17.757885 -17.772688 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.201629 logg= -0.006646 ETOT= -17.780048 -17.791363 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100388 logg= -0.003037 ETOT= -8.893006 -8.897284 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 14.201925 logg= -0.007057 ETOT= -17.778700 -17.790986 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100450 logg= -0.003074 ETOT= -8.895045 -8.899693 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201056 logg= -0.006256 ETOT= -17.784563 -17.794803 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 7.100703 logg= -0.003259 ETOT= -8.899625 -8.905995 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.201830 logg= -0.006642 ETOT= -17.777221 -17.788393 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.205719 logg= -0.008616 ETOT= -17.749882 -17.767199 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 7.100899 logg= -0.003376 ETOT= -8.901263 -8.908271 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=691 Density= 14.201136 logg= -0.006656 ETOT= -17.790479 -17.802131 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100899 logg= -0.003376 ETOT= -8.901263 -8.908271 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=691 Density= 14.201337 logg= -0.006658 ETOT= -17.784900 -17.796443 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100542 logg= -0.003147 ETOT= -8.897404 -8.902931 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201926 logg= -0.007057 ETOT= -17.778699 -17.790986 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201313 logg= -0.006553 ETOT= -17.798239 -17.810594 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=701 Density= 7.100540 logg= -0.003147 ETOT= -8.897405 -8.902932 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.202555 logg= -0.007078 ETOT= -17.769570 -17.781460 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201646 logg= -0.006697 ETOT= -17.801370 -17.814954 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Density= 14.202326 logg= -0.007087 ETOT= -17.772905 -17.784991 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 7.100344 logg= -0.003024 ETOT= -8.891825 -8.896341 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=704 Density= 14.200999 logg= -0.006304 ETOT= -17.788825 -17.799244 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.203466 logg= -0.007586 ETOT= -17.760965 -17.774522 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.202612 logg= -0.007368 ETOT= -17.771407 -17.784125 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.204715 logg= -0.008184 ETOT= -17.753804 -17.769770 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 7.100447 logg= -0.003074 ETOT= -8.895045 -8.899694 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.203466 logg= -0.007586 ETOT= -17.760965 -17.774521 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Sum of eigenvalues= -10221.0012813470 eV TrLogG= -10227.8981084387 eV Ratio to renormalize= 0.999944906418 rho-rho_expected= 0.033057970312 nargs= 1 argi=dmft2.def 37) Finished k-point number 38 1 with #bands= 454 31) Finished k-point number 32 1 with #bands= 452 18) Finished k-point number 19 1 with #bands= 452 33) Finished k-point number 34 1 with #bands= 456 15) Finished k-point number 16 1 with #bands= 458 22) Finished k-point number 23 1 with #bands= 458 29) Finished k-point number 30 1 with #bands= 452 24) Finished k-point number 25 1 with #bands= 454 17) Finished k-point number 18 1 with #bands= 458 28) Finished k-point number 29 1 with #bands= 454 39) Finished k-point number 40 1 with #bands= 456 35) Finished k-point number 36 1 with #bands= 454 20) Finished k-point number 21 1 with #bands= 452 5) Finished k-point number 6 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 1) Finished k-point number 2 1 with #bands= 456 3) Finished k-point number 4 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 36) Finished k-point number 37 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 25) Finished k-point number 26 1 with #bands= 452 27) Finished k-point number 28 1 with #bands= 452 40) Finished k-point number 41 1 with #bands= 460 14) Finished k-point number 15 1 with #bands= 458 30) Finished k-point number 31 1 with #bands= 452 21) Finished k-point number 22 1 with #bands= 456 0) Finished k-point number 1 1 with #bands= 458 41) Finished k-point number 42 1 with #bands= 460 38) Finished k-point number 39 1 with #bands= 454 32) Finished k-point number 33 1 with #bands= 452 45) Finished k-point number 46 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 43) Finished k-point number 44 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 26) Finished k-point number 27 1 with #bands= 454 44) Finished k-point number 45 1 with #bands= 452 47) Finished k-point number 48 1 with #bands= 460 46) Finished k-point number 47 1 with #bands= 456 23) Finished k-point number 24 1 with #bands= 458 4) Finished k-point number 5 1 with #bands= 454 8) Finished k-point number 9 1 with #bands= 456 42) Finished k-point number 43 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 7) Finished k-point number 8 1 with #bands= 456 11) Finished k-point number 12 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 9) Finished k-point number 10 1 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745141409927326 0.745205821041302 0.760975327081794 0.760997553118279 0.760559970121432 0.760568514778479 4.112615949061780E-006 4.112615949061780E-006 -4.179422359608283E-004 0.745141412410667 0.745205825247750 0.760975319514583 0.760997553305960 0.760559972993102 0.760568511983598 -4.103802136118943E-006 -4.103802136118943E-006 -4.179426266832056E-004 0.745180725675012 0.745167621874174 0.760957035068118 0.761014265518814 0.760575989447686 0.760552477073219 6.086930226033818E-006 6.086930226033818E-006 -4.340143852961192E-004 0.745180732949835 0.745167624833892 0.760957044545067 0.761014249456155 0.760575990113196 0.760552476421475 -6.085087751364559E-006 -6.085087751364559E-006 -4.340158521802704E-004 0.745205801912841 0.745144232201217 0.760999784278147 0.760977561627461 0.760570023189765 0.760563069963687 4.733591197151449E-006 4.733591197151449E-006 -4.318306684167339E-004 0.745205802025978 0.745144234742835 0.760999785452066 0.760977556747747 0.760570023614128 0.760563069536948 -4.715176459441422E-006 -4.715176459441422E-006 -4.318304437161812E-004 0.745166915029403 0.745179521838547 0.761016420932831 0.760964150385171 0.760553021767130 0.760579365743198 5.612498795977341E-006 5.612498795977341E-006 -4.178414043572537E-004 0.745166918836012 0.745179524683595 0.761016419525830 0.760964144848294 0.760553022586156 0.760579364902850 -5.602248915873278E-006 -5.602248915873278E-006 -4.178419995271675E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200710 logg= -0.006779 ETOT= -17.783443 -17.794289 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.201550 logg= -0.007580 ETOT= -17.777599 -17.790489 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200653 logg= -0.006826 ETOT= -17.787706 -17.798729 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200974 logg= -0.007181 ETOT= -17.783793 -17.795939 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201096 logg= -0.007434 ETOT= -17.783967 -17.796762 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.200975 logg= -0.007072 ETOT= -17.797115 -17.810092 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.200801 logg= -0.007133 ETOT= -17.794086 -17.806146 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202176 logg= -0.007601 ETOT= -17.768471 -17.780968 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=699 Density= 7.100535 logg= -0.003518 ETOT= -8.899062 -8.905744 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.203074 logg= -0.008107 ETOT= -17.759868 -17.774051 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202784 logg= -0.008056 ETOT= -17.763768 -17.777295 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200719 logg= -0.006924 ETOT= -17.792615 -17.803962 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100534 logg= -0.003518 ETOT= -8.899063 -8.905744 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.201550 logg= -0.007580 ETOT= -17.777599 -17.790488 Density= 14.201263 logg= -0.007170 ETOT= -17.778943 -17.790863 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.204304 logg= -0.008701 ETOT= -17.752713 -17.769306 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.205292 logg= -0.009131 ETOT= -17.748797 -17.766741 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=687 Density= 7.100282 logg= -0.003335 ETOT= -8.894481 -8.899443 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202176 logg= -0.007601 ETOT= -17.768471 -17.780968 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201464 logg= -0.007166 ETOT= -17.776116 -17.787894 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=698 Density= 14.201946 logg= -0.007611 ETOT= -17.771805 -17.784497 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100374 logg= -0.003407 ETOT= -8.896841 -8.902680 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=692 Density= 14.200779 logg= -0.007178 ETOT= -17.789369 -17.801621 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200769 logg= -0.006764 ETOT= -17.780928 -17.791650 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100177 logg= -0.003284 ETOT= -8.891256 -8.896069 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 3.550412 logg= -0.001843 ETOT= -4.450641 -4.454423 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.202227 logg= -0.007890 ETOT= -17.770309 -17.783633 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200976 logg= -0.007181 ETOT= -17.783792 -17.795937 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200781 logg= -0.007177 ETOT= -17.789368 -17.801620 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100373 logg= -0.003407 ETOT= -8.896842 -8.902680 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=695 Density= 7.100221 logg= -0.003298 ETOT= -8.892440 -8.897016 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201947 logg= -0.007611 ETOT= -17.771805 -17.784497 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.200974 logg= -0.007072 ETOT= -17.797116 -17.810093 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 14.204304 logg= -0.008701 ETOT= -17.752713 -17.769306 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=690 Density= 14.200657 logg= -0.006826 ETOT= -17.787705 -17.798727 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 14.200764 logg= -0.006763 ETOT= -17.780924 -17.791652 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100730 logg= -0.003634 ETOT= -8.900699 -8.908019 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 7.100730 logg= -0.003634 ETOT= -8.900699 -8.908019 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=684 Density= 14.201309 logg= -0.007215 ETOT= -17.800244 -17.814449 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=693 Density= 14.201265 logg= -0.007170 ETOT= -17.778943 -17.790862 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203693 logg= -0.008460 ETOT= -17.756792 -17.772221 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 14.200716 logg= -0.006924 ETOT= -17.792617 -17.803964 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100183 logg= -0.003285 ETOT= -8.891260 -8.896067 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100225 logg= -0.003299 ETOT= -8.892442 -8.897014 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203074 logg= -0.008108 ETOT= -17.759868 -17.774051 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.202784 logg= -0.008056 ETOT= -17.763768 -17.777295 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.200715 logg= -0.006780 ETOT= -17.783444 -17.794287 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Density= 7.100284 logg= -0.003335 ETOT= -8.894481 -8.899442 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201465 logg= -0.007166 ETOT= -17.776117 -17.787894 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=696 Sum of eigenvalues= -10220.3631613324 eV TrLogG= -10227.6107911069 eV Ratio to renormalize= 0.999970389067 rho-rho_expected= 0.017767086087 nargs= 1 argi=dmft2.def 29) Finished k-point number 30 1 with #bands= 452 34) Finished k-point number 35 1 with #bands= 456 19) Finished k-point number 20 1 with #bands= 454 27) Finished k-point number 28 1 with #bands= 452 36) Finished k-point number 37 1 with #bands= 454 30) Finished k-point number 31 1 with #bands= 452 5) Finished k-point number 6 1 with #bands= 454 24) Finished k-point number 25 1 with #bands= 454 37) Finished k-point number 38 1 with #bands= 454 33) Finished k-point number 34 1 with #bands= 456 48) Finished k-point number 49 1 with #bands= 464 15) Finished k-point number 16 1 with #bands= 458 3) Finished k-point number 4 1 with #bands= 456 1) Finished k-point number 2 1 with #bands= 456 31) Finished k-point number 32 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 0) Finished k-point number 1 1 with #bands= 458 23) Finished k-point number 24 1 with #bands= 458 47) Finished k-point number 48 1 with #bands= 460 8) Finished k-point number 9 1 with #bands= 456 46) Finished k-point number 47 1 with #bands= 456 26) Finished k-point number 27 1 with #bands= 454 28) Finished k-point number 29 1 with #bands= 454 20) Finished k-point number 21 1 with #bands= 452 38) Finished k-point number 39 1 with #bands= 454 16) Finished k-point number 17 1 with #bands= 458 4) Finished k-point number 5 1 with #bands= 454 25) Finished k-point number 26 1 with #bands= 452 35) Finished k-point number 36 1 with #bands= 454 22) Finished k-point number 23 1 with #bands= 458 21) Finished k-point number 22 1 with #bands= 456 42) Finished k-point number 43 1 with #bands= 452 39) Finished k-point number 40 1 with #bands= 456 45) Finished k-point number 46 1 with #bands= 452 32) Finished k-point number 33 1 with #bands= 452 9) Finished k-point number 10 1 with #bands= 458 40) Finished k-point number 41 1 with #bands= 460 18) Finished k-point number 19 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 12) Finished k-point number 13 1 with #bands= 454 41) Finished k-point number 42 1 with #bands= 460 17) Finished k-point number 18 1 with #bands= 458 44) Finished k-point number 45 1 with #bands= 452 13) Finished k-point number 14 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 11) Finished k-point number 12 1 with #bands= 452 6) Finished k-point number 7 1 with #bands= 452 7) Finished k-point number 8 1 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745171284843084 0.745231036548199 0.761002648244171 0.761022281335366 0.760584023982764 0.760591731245856 1.756704963007200E-006 1.756704963007200E-006 -4.167476010938554E-004 0.745171292066717 0.745231044614582 0.761002636134357 0.761022278692574 0.760584025019699 0.760591730299087 -1.752387089686449E-006 -1.752387089686449E-006 -4.167472336779578E-004 0.745209014221440 0.745190858931024 0.760982424633650 0.761044289874927 0.760601661771929 0.760574569432345 6.606060926729745E-006 6.606060926729745E-006 -4.346216560490492E-004 0.745209003127198 0.745190852201840 0.760982424538615 0.761044310801525 0.760601663448124 0.760574567661571 -6.600776228107579E-006 -6.600776228107579E-006 -4.346315784874414E-004 0.745229007472237 0.745173707406714 0.761021761634131 0.761000296142319 0.760591169780174 0.760584028521214 3.124666860207454E-006 3.124666860207454E-006 -4.292857441114432E-004 0.745229007470959 0.745173707604939 0.761021755567183 0.761000302847228 0.760591169439469 0.760584028906984 -3.115899733116500E-006 -3.115899733116500E-006 -4.292762257001044E-004 0.745186098380884 0.745209974979056 0.761042656529283 0.760986377652033 0.760572577357591 0.760602410836022 5.410601986846614E-006 5.410601986846614E-006 -4.110759247505070E-004 0.745186083244779 0.745209976155262 0.761042668001599 0.760986378431331 0.760572579178083 0.760602408970739 -5.389659456325849E-006 -5.389659456325849E-006 -4.110873486058321E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.200446 logg= -0.006670 ETOT= -17.782053 -17.792706 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=699 Density= 14.200663 logg= -0.006982 ETOT= -17.798241 -17.811129 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.204990 logg= -0.009050 ETOT= -17.749929 -17.767787 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 14.200436 logg= -0.007089 ETOT= -17.790519 -17.802694 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200921 logg= -0.007081 ETOT= -17.780092 -17.791935 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 3.550337 logg= -0.001821 ETOT= -4.450921 -4.454682 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 14.201193 logg= -0.007494 ETOT= -17.778760 -17.791573 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 7.100071 logg= -0.003250 ETOT= -8.892997 -8.897543 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100383 logg= -0.003473 ETOT= -8.899622 -8.906260 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 7.100579 logg= -0.003590 ETOT= -8.901260 -8.908536 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=686 Density= 7.100133 logg= -0.003288 ETOT= -8.895039 -8.899956 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=699 Density= 14.200922 logg= -0.007081 ETOT= -17.780092 -17.791935 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100579 logg= -0.003590 ETOT= -8.901260 -8.908536 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=685 Density= 14.200451 logg= -0.006671 ETOT= -17.782057 -17.792704 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=702 Density= 14.200437 logg= -0.007089 ETOT= -17.790518 -17.802693 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200401 logg= -0.006833 ETOT= -17.793745 -17.805010 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100075 logg= -0.003251 ETOT= -8.892999 -8.897541 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 7.100026 logg= -0.003236 ETOT= -8.891813 -8.896599 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.203986 logg= -0.008619 ETOT= -17.753854 -17.770360 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200391 logg= -0.006686 ETOT= -17.784572 -17.795344 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201194 logg= -0.007494 ETOT= -17.778760 -17.791572 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.200628 logg= -0.007092 ETOT= -17.784945 -17.797014 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200630 logg= -0.007092 ETOT= -17.784944 -17.797012 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200334 logg= -0.006734 ETOT= -17.788837 -17.799785 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200471 logg= -0.007044 ETOT= -17.795226 -17.807207 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201830 logg= -0.007515 ETOT= -17.769624 -17.782044 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 7.100032 logg= -0.003237 ETOT= -8.891817 -8.896597 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=700 Density= 14.201830 logg= -0.007515 ETOT= -17.769624 -17.782045 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.201124 logg= -0.007077 ETOT= -17.777263 -17.788964 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.203364 logg= -0.008377 ETOT= -17.757939 -17.773280 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=694 Density= 7.100222 logg= -0.003361 ETOT= -8.897401 -8.903195 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201596 logg= -0.007524 ETOT= -17.772962 -17.785577 Density= 14.200396 logg= -0.006687 ETOT= -17.784574 -17.795342 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100223 logg= -0.003361 ETOT= -8.897400 -8.903195 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=695 Density= 14.201125 logg= -0.007077 ETOT= -17.777264 -17.788964 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200662 logg= -0.006982 ETOT= -17.798242 -17.811130 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.200738 logg= -0.007348 ETOT= -17.785128 -17.797846 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.203986 logg= -0.008619 ETOT= -17.753854 -17.770360 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 7.100383 logg= -0.003473 ETOT= -8.899623 -8.906260 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.202738 logg= -0.008023 ETOT= -17.761018 -17.775112 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.202441 logg= -0.007972 ETOT= -17.764922 -17.778368 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.202441 logg= -0.007972 ETOT= -17.764922 -17.778368 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 7.100131 logg= -0.003288 ETOT= -8.895039 -8.899957 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=697 Density= 14.200399 logg= -0.006833 ETOT= -17.793746 -17.805011 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201874 logg= -0.007806 ETOT= -17.771469 -17.784717 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=694 Density= 14.202737 logg= -0.008023 ETOT= -17.761018 -17.775112 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200338 logg= -0.006734 ETOT= -17.788836 -17.799783 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201597 logg= -0.007524 ETOT= -17.772962 -17.785577 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=698 Density= 14.201003 logg= -0.007126 ETOT= -17.801367 -17.815484 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=700 Sum of eigenvalues= -10221.0184981020 eV TrLogG= -10228.2204002829 eV Ratio to renormalize= 0.999993527906 rho-rho_expected= 0.003883281324 nargs= 1 argi=dmft2.def 29) Finished k-point number 30 1 with #bands= 452 19) Finished k-point number 20 1 with #bands= 454 37) Finished k-point number 38 1 with #bands= 454 34) Finished k-point number 35 1 with #bands= 456 45) Finished k-point number 46 1 with #bands= 452 36) Finished k-point number 37 1 with #bands= 454 18) Finished k-point number 19 1 with #bands= 452 22) Finished k-point number 23 1 with #bands= 458 21) Finished k-point number 22 1 with #bands= 456 24) Finished k-point number 25 1 with #bands= 454 4) Finished k-point number 5 1 with #bands= 454 3) Finished k-point number 4 1 with #bands= 456 35) Finished k-point number 36 1 with #bands= 454 1) Finished k-point number 2 1 with #bands= 456 32) Finished k-point number 33 1 with #bands= 452 5) Finished k-point number 6 1 with #bands= 454 48) Finished k-point number 49 1 with #bands= 464 31) Finished k-point number 32 1 with #bands= 452 39) Finished k-point number 40 1 with #bands= 456 30) Finished k-point number 31 1 with #bands= 452 26) Finished k-point number 27 1 with #bands= 454 46) Finished k-point number 47 1 with #bands= 456 16) Finished k-point number 17 1 with #bands= 458 33) Finished k-point number 34 1 with #bands= 456 47) Finished k-point number 48 1 with #bands= 460 27) Finished k-point number 28 1 with #bands= 452 43) Finished k-point number 44 1 with #bands= 452 11) Finished k-point number 12 1 with #bands= 452 17) Finished k-point number 18 1 with #bands= 458 0) Finished k-point number 1 1 with #bands= 458 20) Finished k-point number 21 1 with #bands= 452 14) Finished k-point number 15 1 with #bands= 458 41) Finished k-point number 42 1 with #bands= 460 28) Finished k-point number 29 1 with #bands= 454 23) Finished k-point number 24 1 with #bands= 458 44) Finished k-point number 45 1 with #bands= 452 25) Finished k-point number 26 1 with #bands= 452 2) Finished k-point number 3 1 with #bands= 458 15) Finished k-point number 16 1 with #bands= 458 38) Finished k-point number 39 1 with #bands= 454 9) Finished k-point number 10 1 with #bands= 458 42) Finished k-point number 43 1 with #bands= 452 10) Finished k-point number 11 1 with #bands= 458 7) Finished k-point number 8 1 with #bands= 456 40) Finished k-point number 41 1 with #bands= 460 6) Finished k-point number 7 1 with #bands= 452 12) Finished k-point number 13 1 with #bands= 454 13) Finished k-point number 14 1 with #bands= 452 8) Finished k-point number 9 1 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745097518604474 0.745158847167273 0.760933682039709 0.760950173726154 0.760516343214050 0.760527110283651 3.862652452592473E-006 3.862652452592473E-006 -4.205949239595211E-004 0.745097523896824 0.745158845215900 0.760933681214581 0.760950172877947 0.760516342831019 0.760527110740954 -3.852916887432258E-006 -3.852916887432258E-006 -4.205904272829407E-004 0.745133605130890 0.745120143471906 0.760916165537589 0.760970268150378 0.760536828679431 0.760506953887771 7.402027596291285E-006 7.402027596291285E-006 -4.355875535862527E-004 0.745133591868557 0.745120160624312 0.760916160999564 0.760970268920053 0.760536831071898 0.760506951426877 -7.387477307335591E-006 -7.387477307335591E-006 -4.355838987209994E-004 0.745154424345320 0.745101527143374 0.760947611951458 0.760929075900778 0.760524801332631 0.760515355591094 4.508240359979491E-006 4.508240359979491E-006 -4.340139616422963E-004 0.745154422436209 0.745101531329480 0.760947613320480 0.760929072379369 0.760524804452745 0.760515352445146 -4.498432628901785E-006 -4.498432628901785E-006 -4.340177174166463E-004 0.745122160315231 0.745134851582716 0.760963103668192 0.760913792412645 0.760504310739822 0.760535744986173 6.965898589506906E-006 6.965898589506906E-006 -4.186648237674611E-004 0.745122166387728 0.745134854394967 0.760963101935023 0.760913786232924 0.760504307907669 0.760535747774120 -6.949294837418224E-006 -6.949294837418224E-006 -4.186637289053674E-004 mpr_proc= 1 myrank= 0 nprocs= 49 nkpt= 1 Density= 14.201135 logg= -0.006936 ETOT= -17.777455 -17.789106 29) Finished k-point 30 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100466 logg= -0.003401 ETOT= -8.898320 -8.904883 34) Finished k-point 35 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=695 Density= 14.200665 logg= -0.006900 ETOT= -17.792600 -17.804401 32) Finished k-point 33 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=699 Density= 14.200838 logg= -0.006839 ETOT= -17.795629 -17.808369 33) Finished k-point 34 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 14.201836 logg= -0.007378 ETOT= -17.770312 -17.782732 22) Finished k-point 23 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.200516 logg= -0.006592 ETOT= -17.786220 -17.796976 37) Finished k-point 38 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100304 logg= -0.003290 ETOT= -8.896099 -8.901819 45) Finished k-point 46 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200843 logg= -0.006947 ETOT= -17.782306 -17.794183 30) Finished k-point 31 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=697 Density= 14.204236 logg= -0.008467 ETOT= -17.751199 -17.767543 1) Finished k-point 2 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200572 logg= -0.006544 ETOT= -17.781955 -17.792536 36) Finished k-point 37 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.201432 logg= -0.007346 ETOT= -17.776108 -17.788727 23) Finished k-point 24 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 14.201339 logg= -0.006932 ETOT= -17.774628 -17.786136 4) Finished k-point 5 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.202069 logg= -0.007368 ETOT= -17.766976 -17.779202 21) Finished k-point 22 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 14.202989 logg= -0.007874 ETOT= -17.758363 -17.772298 2) Finished k-point 3 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.201432 logg= -0.007346 ETOT= -17.776107 -17.788727 17) Finished k-point 18 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 Density= 7.100661 logg= -0.003518 ETOT= -8.899957 -8.907157 47) Finished k-point 48 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=687 Density= 14.200627 logg= -0.006527 ETOT= -17.779435 -17.789897 35) Finished k-point 36 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100215 logg= -0.003218 ETOT= -8.893737 -8.898580 20) Finished k-point 21 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 7.100465 logg= -0.003402 ETOT= -8.898321 -8.904883 46) Finished k-point 47 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=824 DM_nemaxx=695 Density= 14.200520 logg= -0.006592 ETOT= -17.786219 -17.796974 19) Finished k-point 20 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 7.100662 logg= -0.003518 ETOT= -8.899957 -8.907157 41) Finished k-point 42 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=686 Density= 7.100305 logg= -0.003290 ETOT= -8.896098 -8.901818 27) Finished k-point 28 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.205231 logg= -0.008896 ETOT= -17.747278 -17.764973 0) Finished k-point 1 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=688 Density= 3.550378 logg= -0.001785 ETOT= -4.450270 -4.453993 48) Finished k-point 49 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=832 DM_nemaxx=680 Density= 7.100213 logg= -0.003218 ETOT= -8.893737 -8.898580 44) Finished k-point 45 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.201137 logg= -0.006936 ETOT= -17.777455 -17.789105 11) Finished k-point 12 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200645 logg= -0.006944 ETOT= -17.787883 -17.799866 31) Finished k-point 32 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 7.100114 logg= -0.003167 ETOT= -8.890514 -8.895175 6) Finished k-point 7 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.203617 logg= -0.008226 ETOT= -17.755282 -17.770462 8) Finished k-point 9 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=696 Density= 7.100156 logg= -0.003181 ETOT= -8.891697 -8.896128 13) Finished k-point 14 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200581 logg= -0.006691 ETOT= -17.791130 -17.802226 26) Finished k-point 27 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200578 logg= -0.006691 ETOT= -17.791131 -17.802228 38) Finished k-point 39 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=699 Density= 14.200577 logg= -0.006545 ETOT= -17.781956 -17.792534 12) Finished k-point 13 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200837 logg= -0.006839 ETOT= -17.795630 -17.808370 39) Finished k-point 40 1 with nemin= 1 nemax=878 DM_nemin=369 DM_nemax=824 DM_nemaxx=698 Density= 7.100108 logg= -0.003166 ETOT= -8.890511 -8.895177 42) Finished k-point 43 1 with nemin= 1 nemax=864 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.200647 logg= -0.006944 ETOT= -17.787882 -17.799866 25) Finished k-point 26 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.200632 logg= -0.006529 ETOT= -17.779439 -17.789896 5) Finished k-point 6 1 with nemin= 1 nemax=868 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.200969 logg= -0.007201 ETOT= -17.782479 -17.795004 24) Finished k-point 25 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=822 DM_nemaxx=694 Density= 14.204236 logg= -0.008467 ETOT= -17.751199 -17.767543 7) Finished k-point 8 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=824 DM_nemaxx=692 Density= 14.200845 logg= -0.006947 ETOT= -17.782305 -17.794182 18) Finished k-point 19 1 with nemin= 1 nemax=876 DM_nemin=369 DM_nemax=820 DM_nemaxx=698 Density= 14.202693 logg= -0.007823 ETOT= -17.762266 -17.775531 15) Finished k-point 16 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=699 Density= 14.201338 logg= -0.006932 ETOT= -17.774627 -17.786137 28) Finished k-point 29 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=822 DM_nemaxx=700 Density= 14.202069 logg= -0.007368 ETOT= -17.766976 -17.779201 3) Finished k-point 4 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=824 DM_nemaxx=700 Density= 7.100152 logg= -0.003180 ETOT= -8.891695 -8.896130 43) Finished k-point 44 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=820 DM_nemaxx=696 Density= 14.202123 logg= -0.007657 ETOT= -17.768812 -17.781864 Density= 14.202693 logg= -0.007823 ETOT= -17.762265 -17.775530 Density= 14.201836 logg= -0.007378 ETOT= -17.770311 -17.782732 16) Finished k-point 17 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=696 10) Finished k-point 11 1 with nemin= 1 nemax=870 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 9) Finished k-point 10 1 with nemin= 1 nemax=874 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Density= 14.201171 logg= -0.006982 ETOT= -17.798759 -17.812726 40) Finished k-point 41 1 with nemin= 1 nemax=880 DM_nemin=369 DM_nemax=828 DM_nemaxx=698 Density= 14.202989 logg= -0.007874 ETOT= -17.758363 -17.772298 14) Finished k-point 15 1 with nemin= 1 nemax=872 DM_nemin=369 DM_nemax=826 DM_nemaxx=700 Sum of eigenvalues= -10219.5053535923 eV TrLogG= -10226.6035212098 eV Ratio to renormalize= 0.999978850228 rho-rho_expected= 0.012690131587