nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 Found EF.dat and EF is 8.22171364763765 2) Finished k-point number 3 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 18) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 15) Finished k-point number 16 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 27) Finished k-point number 28 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 25) Finished k-point number 26 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 42) Finished k-point number 43 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 24) Finished k-point number 25 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: 41) Finished k-point number 42 1 with #bands= 8 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 16) Finished k-point number 17 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941695786909464 0.907155487066804 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0876562 2.0080240 9.9761939 6 5.1010565 2.5676587 11.8878248 7 5.1022951 4.1845977 13.7662442 8 5.7992097 5.1269361 15.3678919 9 5.9393975 5.3176412 16.8661771 10 6.3854883 5.3176412 18.4120972 11 7.4826700 5.3176412 19.8891067 12 7.4865331 8.9689425 21.0908280 gap-size= 1.482 middle-point= 8.228 charge-density= 20.029 13 10.2546214 10.0662601 21.3989367 14 10.3165735 10.0721936 21.7635987 15 10.3240761 10.1050427 22.1515475 16 12.1962923 11.1289199 23.0749578 17 12.1989489 11.1314375 24.0758125 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4824094 mismatch-density-integration= 0.0292748 mismatch-density-quasiparticle= 1.0908280 Difference in EF= 0.0060241339 EF set to : 8.2277377815 new EF (no-mixing): 8.2277377815 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -235.925712276117 eV Ratio to renormalize= 0.998538398065194 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 9) Finished k-point number 10 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 10) Finished k-point number 11 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.22773778152523 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 22) Finished k-point number 23 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 32) Finished k-point number 33 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 35) Finished k-point number 36 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941748544815830 0.907240993576146 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0840677 2.0090407 9.9761841 6 5.0996077 2.5673652 11.8878466 7 5.1008374 4.1813796 13.7663064 8 5.7960505 5.1255037 15.3698710 9 5.9359226 5.3196565 16.8697053 10 6.3829964 5.3196565 18.4177281 11 7.4850477 5.3196565 19.8959060 12 7.4888901 8.9698774 21.0992111 gap-size= 1.481 middle-point= 8.229 charge-density= 20.033 13 10.2585626 10.0709554 21.4062242 14 10.3201312 10.0768705 21.7692917 15 10.3276106 10.1096290 22.1555376 16 12.1959653 11.1309238 23.0770631 17 12.1986016 11.1334257 24.0759330 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4809873 mismatch-density-integration= 0.0334869 mismatch-density-quasiparticle= 1.0992111 Difference in EF= 0.0016459555 EF set to : 8.2293837370 new EF (no-mixing): 8.2293837370 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -235.958306026694 eV Ratio to renormalize= 0.998328453428784 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 3) Finished k-point number 4 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.22938373703668 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 11) Finished k-point number 12 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941925234740209 0.907548710227974 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0685363 2.0126683 9.9759985 6 5.0872762 2.5648226 11.8871704 7 5.0884811 4.1681770 13.7649209 8 5.7802115 5.1131653 15.3715686 9 5.9220759 5.3268441 16.8748736 10 6.3699404 5.3268441 18.4270765 11 7.4839161 5.3268441 19.9075250 12 7.4876908 8.9734686 21.1142221 gap-size= 1.486 middle-point= 8.231 charge-density= 20.046 13 10.2563386 10.0702831 21.4192777 14 10.3169799 10.0761496 21.7794290 15 10.3243952 10.1086747 22.1624686 16 12.1863629 11.1251357 23.0802289 17 12.1889598 11.1275916 24.0757336 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4857778 mismatch-density-integration= 0.0457359 mismatch-density-quasiparticle= 1.1142221 Difference in EF= 0.0011959464 EF set to : 8.2305796835 new EF (no-mixing): 8.2305796835 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.099360704527 eV Ratio to renormalize= 0.997718423333247 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.23057968347981 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941932880833501 0.907560825424902 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0684108 2.0129391 9.9760015 6 5.0874201 2.5648992 11.8871960 7 5.0886237 4.1681304 13.7649811 8 5.7801291 5.1133111 15.3718765 9 5.9223068 5.3269385 16.8754091 10 6.3698767 5.3269385 18.4278945 11 7.4843749 5.3269385 19.9085128 12 7.4881541 8.9738868 21.1154327 gap-size= 1.486 middle-point= 8.231 charge-density= 20.046 13 10.2572424 10.0712995 21.4203365 14 10.3178374 10.0771636 21.7802638 15 10.3252497 10.1096756 22.1630648 16 12.1865721 11.1257715 23.0805572 17 12.1891645 11.1282248 24.0757580 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4857327 mismatch-density-integration= 0.0462648 mismatch-density-quasiparticle= 1.1154327 Difference in EF= 0.0004407678 EF set to : 8.2310204513 new EF (no-mixing): 8.2310204513 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.100479464450 eV Ratio to renormalize= 0.997692099399923 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: 12) Finished k-point number 13 1 with #bands= 8 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 14) Finished k-point number 15 1 with #bands= 9 Found EF.dat and EF is 8.23102045131418 15) Finished k-point number 16 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 2) Finished k-point number 3 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 0) Finished k-point number 1 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 10) Finished k-point number 11 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941941443825973 0.907573110837109 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0714478 2.0149347 9.9760068 6 5.0895549 2.5663300 11.8872369 7 5.0907565 4.1716385 13.7650992 8 5.7827251 5.1154309 15.3715724 9 5.9238458 5.3263101 16.8747137 10 6.3719822 5.3263101 18.4267470 11 7.4845905 5.3263101 19.9071554 12 7.4883657 8.9772752 21.1137865 gap-size= 1.489 middle-point= 8.233 charge-density= 20.046 13 10.2581276 10.0721133 21.4189529 14 10.3188202 10.0779802 21.7792214 15 10.3262353 10.1104949 22.1623742 16 12.1877204 11.1271224 23.0802061 17 12.1903052 11.1295711 24.0757089 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4889096 mismatch-density-integration= 0.0456811 mismatch-density-quasiparticle= 1.1137865 Difference in EF= 0.0018000013 EF set to : 8.2328204526 new EF (no-mixing): 8.2328204526 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.063770637994 eV Ratio to renormalize= 0.997721149351208 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 3) Finished k-point number 4 1 with #bands= 9 Found EF.dat and EF is 8.23282045263987 sumw= 1000.00000000000 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 8) Finished k-point number 9 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 37) Finished k-point number 38 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941965058185830 0.907613290678817 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0708316 2.0168909 9.9759822 6 5.0893776 2.5674074 11.8871498 7 5.0905755 4.1713289 13.7649229 8 5.7820882 5.1152534 15.3718139 9 5.9241548 5.3287106 16.8754499 10 6.3717231 5.3287106 18.4280566 11 7.4859623 5.3287106 19.9087832 12 7.4897266 8.9792369 21.1158846 gap-size= 1.490 middle-point= 8.234 charge-density= 20.047 13 10.2593897 10.0735873 21.4207776 14 10.3199592 10.0794476 21.7806414 15 10.3273656 10.1119305 22.1633506 16 12.1879511 11.1278703 23.0806567 17 12.1905303 11.1303122 24.0756855 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4895104 mismatch-density-integration= 0.0473489 mismatch-density-quasiparticle= 1.1158846 Difference in EF= 0.0016612858 EF set to : 8.2344817385 new EF (no-mixing): 8.2344817385 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.052890008728 eV Ratio to renormalize= 0.997638145204965 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 Found EF.dat and EF is 8.23448173845240 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 33) Finished k-point number 34 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941955040711505 0.907603549906676 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0742767 2.0210129 9.9759577 6 5.0923883 2.5713404 11.8870271 7 5.0935878 4.1747552 13.7646558 8 5.7854479 5.1182613 15.3711837 9 5.9273176 5.3335493 16.8745625 10 6.3753000 5.3335493 18.4268156 11 7.4892626 5.3335493 19.9073113 12 7.4930382 8.9829781 21.1141394 gap-size= 1.490 middle-point= 8.238 charge-density= 20.047 13 10.2614525 10.0754910 21.4192423 14 10.3220665 10.0813534 21.7794194 15 10.3294755 10.1138497 22.1624558 16 12.1911544 11.1302507 23.0801033 17 12.1937379 11.1326956 24.0756078 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4899399 mismatch-density-integration= 0.0470867 mismatch-density-quasiparticle= 1.1141394 Difference in EF= 0.0035264399 EF set to : 8.2380081784 new EF (no-mixing): 8.2380081784 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -235.970754484487 eV Ratio to renormalize= 0.997651194170185 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.23800817839364 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 0) Finished k-point number 1 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941958771134312 0.907609586730424 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0744089 2.0210727 9.9759808 6 5.0933591 2.5715161 11.8871481 7 5.0945575 4.1747732 13.7649153 8 5.7858888 5.1192437 15.3720789 9 5.9284611 5.3336460 16.8759724 10 6.3757221 5.3336460 18.4288773 11 7.4909100 5.3336460 19.9097609 12 7.4946644 8.9830265 21.1170673 gap-size= 1.488 middle-point= 8.239 charge-density= 20.048 13 10.2642770 10.0785476 21.4217905 14 10.3247974 10.0844059 21.7814248 15 10.3322017 10.1168815 22.1638949 16 12.1924252 11.1324139 23.0809402 17 12.1950054 11.1348571 24.0757138 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4883621 mismatch-density-integration= 0.0478391 mismatch-density-quasiparticle= 1.1170673 Difference in EF= 0.0008372458 EF set to : 8.2388454242 new EF (no-mixing): 8.2388454242 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -235.970180281858 eV Ratio to renormalize= 0.997613753108614 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Found EF.dat and EF is 8.23884542421429 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 3) Finished k-point number 4 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 7) Finished k-point number 8 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 33) Finished k-point number 34 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941943737441827 0.907585028023475 30) Finished k-point number 31 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0753990 2.0204473 9.9760047 6 5.0944158 2.5714964 11.8872468 7 5.0956162 4.1755051 13.7651198 8 5.7870304 5.1203058 15.3722749 9 5.9293087 5.3328567 16.8760621 10 6.3766426 5.3328567 18.4288656 11 7.4913221 5.3328567 19.9096997 12 7.4951039 8.9823392 21.1168961 gap-size= 1.487 middle-point= 8.239 charge-density= 20.047 13 10.2651754 10.0793996 21.4216398 14 10.3257359 10.0852606 21.7813146 15 10.3331440 10.1177485 22.1638408 16 12.1933934 11.1333658 23.0809801 17 12.1959800 11.1358131 24.0757701 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4872353 mismatch-density-integration= 0.0470920 mismatch-density-quasiparticle= 1.1168961 Difference in EF= -0.0001239071 EF set to : 8.2387215172 new EF (no-mixing): 8.2387215172 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -235.964569473534 eV Ratio to renormalize= 0.997650931935358 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.23872151716338 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 8) Finished k-point number 9 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 27) Finished k-point number 28 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941949715510987 0.907594824539003 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0750494 2.0207044 9.9759969 6 5.0940818 2.5715304 11.8872157 7 5.0952814 4.1752512 13.7650559 8 5.7866347 5.1199703 15.3722457 9 5.9290611 5.3331713 16.8760988 10 6.3763310 5.3331713 18.4289732 11 7.4912680 5.3331713 19.9098454 12 7.4950266 8.9826281 21.1171071 gap-size= 1.488 middle-point= 8.239 charge-density= 20.047 13 10.2649933 10.0792469 21.4218243 14 10.3255339 10.0851067 21.7814566 15 10.3329403 10.1175887 22.1639333 16 12.1931065 11.1331307 23.0810067 17 12.1956857 11.1355763 24.0757538 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4876015 mismatch-density-integration= 0.0474124 mismatch-density-quasiparticle= 1.1171071 Difference in EF= 0.0001058621 EF set to : 8.2388273792 new EF (no-mixing): 8.2388273792 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -235.966369010819 eV Ratio to renormalize= 0.997634986096088 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 9) Finished k-point number 10 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.23882737924909 sumw= 1000.00000000000 1) Finished k-point number 2 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 11) Finished k-point number 12 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 0) Finished k-point number 1 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941952615275678 0.907599575740884 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 37) Finished k-point number 38 1 with #bands= 8 Weights and bands 5 5.0749315 2.0208730 9.9759939 6 5.0939994 2.5715907 11.8872050 7 5.0951985 4.1751743 13.7650343 8 5.7865091 5.1198875 15.3722623 9 5.9290266 5.3333675 16.8761645 10 6.3762421 5.3333675 18.4290948 11 7.4913365 5.3333675 19.9099984 12 7.4950975 8.9828102 21.1173075 gap-size= 1.488 middle-point= 8.239 charge-density= 20.048 13 10.2650475 10.0793229 21.4219990 14 10.3255756 10.0851821 21.7815928 15 10.3329811 10.1176606 22.1640266 16 12.1930580 11.1331366 23.0810480 17 12.1956363 11.1355812 24.0757498 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4877126 mismatch-density-integration= 0.0475926 mismatch-density-quasiparticle= 1.1173075 Difference in EF= 0.0001264721 EF set to : 8.2389538514 new EF (no-mixing): 8.2389538514 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -235.966283865829 eV Ratio to renormalize= 0.997626021479323 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 3) Finished k-point number 4 1 with #bands= 9 Found EF.dat and EF is 8.23895385137888 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 28) Finished k-point number 29 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941953210816062 0.907600624212502 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0749091 2.0208997 9.9759941 6 5.0940101 2.5716041 11.8872069 7 5.0952091 4.1751555 13.7650388 8 5.7864952 5.1198985 15.3722938 9 5.9290514 5.3333999 16.8762214 10 6.3762343 5.3333999 18.4291826 11 7.4913957 5.3333999 19.9101041 12 7.4951569 8.9828382 21.1174372 gap-size= 1.488 middle-point= 8.239 charge-density= 20.048 13 10.2651423 10.0794290 21.4221119 14 10.3256652 10.0852879 21.7816814 15 10.3330703 10.1177652 22.1640895 16 12.1930843 11.1332014 23.0810823 17 12.1956617 11.1356460 24.0757525 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4876813 mismatch-density-integration= 0.0476488 mismatch-density-quasiparticle= 1.1174372 Difference in EF= 0.0000437354 EF set to : 8.2389975867 new EF (no-mixing): 8.2389975867 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -235.966355094899 eV Ratio to renormalize= 0.997623223942933 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 15) Finished k-point number 16 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 Found EF.dat and EF is 8.23899758673913 sumw= 1000.00000000000 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 3) Finished k-point number 4 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 1) Finished k-point number 2 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 30) Finished k-point number 31 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941952570733201 0.907599588430274 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0749369 2.0208585 9.9759952 6 5.0940463 2.5715923 11.8872119 7 5.0952453 4.1751711 13.7650492 8 5.7865278 5.1199350 15.3723080 9 5.9290800 5.3333527 16.8762344 10 6.3762613 5.3333527 18.4291955 11 7.4914129 5.3333527 19.9101175 12 7.4951700 8.9827924 21.1174490 gap-size= 1.488 middle-point= 8.239 charge-density= 20.048 13 10.2651841 10.0794703 21.4221221 14 10.3257081 10.0853292 21.7816898 15 10.3331133 10.1178069 22.1640966 16 12.1931188 11.1332410 23.0810895 17 12.1957004 11.1356858 24.0757556 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4876225 mismatch-density-integration= 0.0476209 mismatch-density-quasiparticle= 1.1174490 Difference in EF= -0.0000163885 EF set to : 8.2389811982 new EF (no-mixing): 8.2389811982 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -235.966407410864 eV Ratio to renormalize= 0.997624610813323 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Found EF.dat and EF is 8.23898119819696 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 sumw= 1000.00000000000 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 9) Finished k-point number 10 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 22) Finished k-point number 23 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941952207069983 0.907598951396091 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0749536 2.0208384 9.9759956 6 5.0940572 2.5715806 11.8872131 7 5.0952563 4.1751827 13.7650516 8 5.7865490 5.1199460 15.3723047 9 5.9290847 5.3333290 16.8762242 10 6.3762741 5.3333290 18.4291772 11 7.4914035 5.3333290 19.9100948 12 7.4951595 8.9827706 21.1174196 gap-size= 1.488 middle-point= 8.239 charge-density= 20.048 13 10.2651752 10.0794583 21.4220965 14 10.3257009 10.0853173 21.7816698 15 10.3331063 10.1177955 22.1640828 16 12.1931253 11.1332392 23.0810831 17 12.1957063 11.1356840 24.0757560 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4876111 mismatch-density-integration= 0.0475965 mismatch-density-quasiparticle= 1.1174196 Difference in EF= -0.0000161205 EF set to : 8.2389650777 new EF (no-mixing): 8.2389650777 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -235.966385886488 eV Ratio to renormalize= 0.997625825662427 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 23) Finished k-point number 24 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 Found EF.dat and EF is 8.23896507771437 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4626756 G= 0.0282038 C= 0.7948141 s0= 0.0637745 A= 2.7764184 G= 0.2157711 C= 1.2400817 s0= -0.0114148 26) Finished k-point number 27 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941952171418225 0.907598923973354 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0749527 2.0208372 9.9759955 6 5.0940525 2.5715839 11.8872126 7 5.0952517 4.1751822 13.7650505 8 5.7865473 5.1199413 15.3723007 9 5.9290792 5.3333277 16.8762179 10 6.3762719 5.3333277 18.4291680 11 7.4914014 5.3333277 19.9100838 12 7.4951466 8.9827694 21.1174064 gap-size= 1.488 middle-point= 8.239 charge-density= 20.048 13 10.2651622 10.0794443 21.4220851 14 10.3256884 10.0853033 21.7816608 15 10.3330938 10.1177816 22.1640764 16 12.1931193 11.1332292 23.0810794 17 12.1957012 11.1356740 24.0757556 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4876228 mismatch-density-integration= 0.0475912 mismatch-density-quasiparticle= 1.1174064 Difference in EF= -0.0000070805 EF set to : 8.2389579972 new EF (no-mixing): 8.2389579972 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -235.966412023765 eV Ratio to renormalize= 0.997626087676934 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 6) Finished k-point number 7 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 5) Finished k-point number 6 1 with #bands= 9 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 16) Finished k-point number 17 1 with #bands= 8 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 19) Finished k-point number 20 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 Found EF.dat and EF is 8.23895799717337 sumw= 1000.00000000000 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 25) Finished k-point number 26 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941952247867395 0.907598944083066 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0546358 2.0203081 9.9758224 6 5.0971938 2.5782435 11.8872399 7 5.1048577 4.1634144 13.7658223 8 5.7623180 5.1121382 15.3883167 9 5.9383856 5.3333298 16.8537115 10 6.3415655 5.3333298 18.3867882 11 7.4876816 5.3333298 19.8392697 12 7.4913249 8.9827713 21.0327917 gap-size= 1.491 middle-point= 8.237 charge-density= 20.021 13 10.1260155 9.9278295 21.3567150 14 10.1897917 9.9338737 21.7435644 15 10.1974075 9.9673638 22.1545568 16 12.1689980 11.1033762 23.0750756 17 12.1715706 11.1058112 24.0744642 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4914464 mismatch-density-integration= 0.0211586 mismatch-density-quasiparticle= 1.0327917 Difference in EF= -0.0019099077 EF set to : 8.2370480895 new EF (no-mixing): 8.2370480895 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.157792407751 eV Ratio to renormalize= 0.998943189575734 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Found EF.dat and EF is 8.23704808949525 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 3) Finished k-point number 4 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 1) Finished k-point number 2 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 8) Finished k-point number 9 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941951848237833 0.907598274359649 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 37) Finished k-point number 38 1 with #bands= 8 Weights and bands 5 5.0543942 2.0202725 9.9758084 6 5.0969619 2.5780986 11.8871693 7 5.1046276 4.1632599 13.7656716 8 5.7619079 5.1114887 15.3878790 9 5.9376595 5.3333026 16.8529752 10 6.3411735 5.3333026 18.3857332 11 7.4867477 5.3333026 19.8379929 12 7.4903859 8.9827440 21.0312698 gap-size= 1.492 middle-point= 8.237 charge-density= 20.021 13 10.1244895 9.9261697 21.3553920 14 10.1882990 9.9322157 21.7425330 15 10.1959168 9.9657154 22.1538353 16 12.1682142 11.1021407 23.0746501 17 12.1707844 11.1045762 24.0744069 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4923581 mismatch-density-integration= 0.0208438 mismatch-density-quasiparticle= 1.0312698 Difference in EF= -0.0004831645 EF set to : 8.2365649250 new EF (no-mixing): 8.2365649250 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.159936035243 eV Ratio to renormalize= 0.998958896539832 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.23656492503701 sumw= 1000.00000000000 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941951432160561 0.907597656018567 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0543629 2.0202672 9.9758051 6 5.0969334 2.5780717 11.8871521 7 5.1045996 4.1632486 13.7656350 8 5.7618330 5.1113482 15.3877650 9 5.9374950 5.3332952 16.8527787 10 6.3411006 5.3332952 18.3854493 11 7.4865278 5.3332952 19.8376480 12 7.4901538 8.9827415 21.0308566 gap-size= 1.493 middle-point= 8.236 charge-density= 20.021 13 10.1241115 9.9257542 21.3550329 14 10.1879302 9.9318007 21.7422533 15 10.1955486 9.9653031 22.1536401 16 12.1680368 11.1018408 23.0745362 17 12.1706165 11.1042765 24.0743924 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4925878 mismatch-density-integration= 0.0207449 mismatch-density-quasiparticle= 1.0308566 Difference in EF= -0.0001172864 EF set to : 8.2364476387 new EF (no-mixing): 8.2364476387 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.160095244868 eV Ratio to renormalize= 0.998963832223618 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 7) Finished k-point number 8 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.23644763868398 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941955075555942 0.907603718799606 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0541292 2.0204222 9.9757998 6 5.0966955 2.5780830 11.8871306 7 5.1043607 4.1630729 13.7655910 8 5.7615716 5.1111175 15.3877342 9 5.9373187 5.3334944 16.8527898 10 6.3408927 5.3334944 18.3854962 11 7.4864607 5.3334944 19.8377223 12 7.4900945 8.9829090 21.0309716 gap-size= 1.493 middle-point= 8.237 charge-density= 20.021 13 10.1239587 9.9256210 21.3551318 14 10.1877666 9.9316667 21.7423279 15 10.1953839 9.9651657 22.1536873 16 12.1678361 11.1016636 23.0745462 17 12.1704026 11.1040985 24.0743816 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4928146 mismatch-density-integration= 0.0209449 mismatch-density-quasiparticle= 1.0309716 Difference in EF= 0.0000540963 EF set to : 8.2365017350 new EF (no-mixing): 8.2365017350 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.161352667360 eV Ratio to renormalize= 0.998953852399753 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Found EF.dat and EF is 8.23650173498557 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 0) Finished k-point number 1 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941955808736273 0.907604841889825 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0540948 2.0204553 9.9757993 6 5.0966598 2.5780956 11.8871292 7 5.1043249 4.1630459 13.7655882 8 5.7615406 5.1110995 15.3877453 9 5.9373149 5.3335372 16.8528208 10 6.3408701 5.3335372 18.3855466 11 7.4864891 5.3335372 19.8377868 12 7.4901232 8.9829427 21.0310536 gap-size= 1.493 middle-point= 8.237 charge-density= 20.021 13 10.1239925 9.9256622 21.3552028 14 10.1877953 9.9317077 21.7423828 15 10.1954125 9.9652055 22.1537248 16 12.1678301 11.1016793 23.0745648 17 12.1703976 11.1041138 24.0743817 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4928195 mismatch-density-integration= 0.0209959 mismatch-density-quasiparticle= 1.0310536 Difference in EF= 0.0000311783 EF set to : 8.2365329133 new EF (no-mixing): 8.2365329133 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.161463120432 eV Ratio to renormalize= 0.998951305080476 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.23653291328813 sumw= 1000.00000000000 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 0) Finished k-point number 1 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 9) Finished k-point number 10 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941955036467739 0.907603571676796 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0541369 2.0204170 9.9758005 6 5.0967027 2.5780859 11.8871340 7 5.1043680 4.1630748 13.7655981 8 5.7615868 5.1111440 15.3877547 9 5.9373494 5.3334918 16.8528239 10 6.3409086 5.3334918 18.3855448 11 7.4865049 5.3334918 19.8377811 12 7.4901342 8.9828997 21.0310415 gap-size= 1.493 middle-point= 8.237 charge-density= 20.021 13 10.1240248 9.9256946 21.3551925 14 10.1878329 9.9317403 21.7423753 15 10.1954502 9.9652388 22.1537206 16 12.1678701 11.1017174 23.0745660 17 12.1704423 11.1041522 24.0743844 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4927656 mismatch-density-integration= 0.0209565 mismatch-density-quasiparticle= 1.0310415 Difference in EF= -0.0000159751 EF set to : 8.2365169382 new EF (no-mixing): 8.2365169382 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.161322937171 eV Ratio to renormalize= 0.998953270326864 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 9) Finished k-point number 10 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 4) Finished k-point number 5 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Found EF.dat and EF is 8.23651693818954 sumw= 1000.00000000000 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941962514451622 0.907615981266512 0) Finished k-point number 1 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 Weights and bands 5 5.0537504 2.0208021 9.9757908 6 5.0963065 2.5781907 11.8870965 7 5.1039698 4.1628013 13.7655215 8 5.7611574 5.1107971 15.3877283 9 5.9371184 5.3339613 16.8529064 10 6.3405856 5.3339613 18.3857257 11 7.4865208 5.3339613 19.8380353 12 7.4901584 8.9833161 21.0313973 gap-size= 1.493 middle-point= 8.237 charge-density= 20.021 13 10.1239069 9.9256263 21.3554994 14 10.1876890 9.9316703 21.7426093 15 10.1953041 9.9651607 22.1538739 16 12.1675943 11.1015260 23.0746202 17 12.1701618 11.1039586 24.0743668 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4931578 mismatch-density-integration= 0.0213898 mismatch-density-quasiparticle= 1.0313973 Difference in EF= 0.0002203071 EF set to : 8.2367372453 new EF (no-mixing): 8.2367372453 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.162354478306 eV Ratio to renormalize= 0.998931654992374 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.23673724530389 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 10) Finished k-point number 11 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 33) Finished k-point number 34 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 25) Finished k-point number 26 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.941995906196603 0.907671481510016 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0520699 2.0225498 9.9757496 6 5.0945812 2.5786969 11.8869380 7 5.1022352 4.1616135 13.7651993 8 5.7593090 5.1093553 15.3876727 9 5.9362082 5.3360896 16.8533812 10 6.3392137 5.3360896 18.3866859 11 7.4867788 5.3360896 19.8393554 12 7.4903934 8.9851979 21.0332072 gap-size= 1.495 middle-point= 8.238 charge-density= 20.023 13 10.1236122 9.9255760 21.3570619 14 10.1872770 9.9316122 21.7438036 15 10.1948818 9.9650652 22.1546629 16 12.1664928 11.1008644 23.0749234 17 12.1690566 11.1032878 24.0742965 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4948045 mismatch-density-integration= 0.0233645 mismatch-density-quasiparticle= 1.0332072 Difference in EF= 0.0010584155 EF set to : 8.2377956608 new EF (no-mixing): 8.2377956608 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.166329292007 eV Ratio to renormalize= 0.998833138272685 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.23779566081560 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 8) Finished k-point number 9 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942037038030264 0.907740022921543 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0500919 2.0247092 9.9757046 6 5.0925441 2.5793729 11.8867722 7 5.1001860 4.1602053 13.7648651 8 5.7571917 5.1078458 15.3877859 9 5.9353848 5.3387147 16.8542710 10 6.3376790 5.3387147 18.3883035 11 7.4874560 5.3387147 19.8415087 12 7.4910911 8.9875164 21.0360649 gap-size= 1.496 middle-point= 8.239 charge-density= 20.026 13 10.1238762 9.9261974 21.3595324 14 10.1873845 9.9322234 21.7457000 15 10.1949758 9.9656262 22.1559321 16 12.1654595 11.1005596 23.0754728 17 12.1680194 11.1029714 24.0742340 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4964253 mismatch-density-integration= 0.0259323 mismatch-density-quasiparticle= 1.0360649 Difference in EF= 0.0015080833 EF set to : 8.2393037441 new EF (no-mixing): 8.2393037441 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.170409980745 eV Ratio to renormalize= 0.998705064616826 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Found EF.dat and EF is 8.23930374408988 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 0) Finished k-point number 1 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 9) Finished k-point number 10 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: 44) Finished k-point number 45 1 with #bands= 8 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942211209213248 0.908030668435677 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0412270 2.0338369 9.9754890 6 5.0834428 2.5819785 11.8859506 7 5.0910359 4.1539038 13.7631967 8 5.7474692 5.1003528 15.3875743 9 5.9307195 5.3498675 16.8569055 10 6.3304833 5.3498675 18.3935238 11 7.4889420 5.3498675 19.8486812 12 7.4925381 8.9973343 21.0458664 gap-size= 1.505 middle-point= 8.245 charge-density= 20.036 13 10.1226045 9.9262323 21.3679901 14 10.1854956 9.9322176 21.7521685 15 10.1930328 9.9654222 22.1602154 16 12.1598203 11.0973108 23.0771507 17 12.1623195 11.0996743 24.0738790 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5047962 mismatch-density-integration= 0.0363805 mismatch-density-quasiparticle= 1.0458664 Difference in EF= 0.0056324379 EF set to : 8.2449361820 new EF (no-mixing): 8.2449361820 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.191902114957 eV Ratio to renormalize= 0.998184280132588 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 10) Finished k-point number 11 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 1) Finished k-point number 2 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.24493618201898 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 25) Finished k-point number 26 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942213253333454 0.908034451147946 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0418453 2.0339789 9.9755294 6 5.0840313 2.5824091 11.8861560 7 5.0916189 4.1542813 13.7636346 8 5.7485804 5.1021973 15.3888648 9 5.9328025 5.3500070 16.8590929 10 6.3315562 5.3500070 18.3966564 11 7.4916979 5.3500070 19.8524815 12 7.4952725 8.9974412 21.0504064 gap-size= 1.502 middle-point= 8.246 charge-density= 20.037 13 10.1270886 9.9311195 21.3719416 14 10.1898823 9.9370994 21.7552517 15 10.1974134 9.9702746 22.1623740 16 12.1620944 11.1009320 23.0784179 17 12.1645872 11.1032939 24.0740452 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5021687 mismatch-density-integration= 0.0373651 mismatch-density-quasiparticle= 1.0504064 Difference in EF= 0.0014206350 EF set to : 8.2463568170 new EF (no-mixing): 8.2463568170 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.186248080669 eV Ratio to renormalize= 0.998135230412315 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 3) Finished k-point number 4 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 16) Finished k-point number 17 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 32) Finished k-point number 33 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 Found EF.dat and EF is 8.24635681699086 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 0) Finished k-point number 1 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942163584630376 0.907953003147800 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0444634 2.0313832 9.9756042 6 5.0867059 2.5817759 11.8864573 7 5.0943053 4.1560833 13.7642529 8 5.7516164 5.1049098 15.3893707 9 5.9347918 5.3468694 16.8591028 10 6.3338751 5.3468694 18.3962663 11 7.4921727 5.3468694 19.8517557 12 7.4957591 8.9945752 21.0491767 gap-size= 1.499 middle-point= 8.245 charge-density= 20.035 13 10.1288932 9.9326968 21.3708863 14 10.1918295 9.9386863 21.7544571 15 10.1993739 9.9719074 22.1618762 16 12.1644308 11.1030275 23.0783652 17 12.1669445 11.1054027 24.0742039 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4988162 mismatch-density-integration= 0.0347357 mismatch-density-quasiparticle= 1.0491767 Difference in EF= -0.0011896591 EF set to : 8.2451671579 new EF (no-mixing): 8.2451671579 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.179244277837 eV Ratio to renormalize= 0.998266225736049 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24516715787586 sumw= 1000.00000000000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: beta....= 38.6833333300001 n0_om...= 75 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 37) Finished k-point number 38 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942198317177779 0.908011415744823 0) Finished k-point number 1 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0424436 2.0331942 9.9755494 6 5.0846456 2.5821793 11.8862350 7 5.0922365 4.1546502 13.7637960 8 5.7493029 5.1028722 15.3889908 9 5.9332710 5.3491074 16.8590716 10 6.3320850 5.3491074 18.3965147 11 7.4917401 5.3491074 19.8522292 12 7.4953204 8.9965187 21.0499928 gap-size= 1.501 middle-point= 8.246 charge-density= 20.037 13 10.1274342 9.9313991 21.3715812 14 10.1902694 9.9373817 21.7549713 15 10.1978042 9.9705699 22.1621840 16 12.1626678 11.1013957 23.0783748 17 12.1651817 11.1037616 24.0740878 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5011983 mismatch-density-integration= 0.0366164 mismatch-density-quasiparticle= 1.0499928 Difference in EF= 0.0007523819 EF set to : 8.2459195397 new EF (no-mixing): 8.2459195397 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.185583595150 eV Ratio to renormalize= 0.998172526235588 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 9) Finished k-point number 10 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Found EF.dat and EF is 8.24591953973606 sumw= 1000.00000000000 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942202908422054 0.908019105724070 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0422983 2.0334322 9.9755492 6 5.0844906 2.5822882 11.8862411 7 5.0920796 4.1545380 13.7638109 8 5.7491952 5.1029173 15.3891503 9 5.9334163 5.3493934 16.8594159 10 6.3320380 5.3493934 18.3970430 11 7.4921255 5.3493934 19.8528913 12 7.4956954 8.9967709 21.0508147 gap-size= 1.501 middle-point= 8.246 charge-density= 20.037 13 10.1279707 9.9320201 21.3722948 14 10.1907791 9.9380009 21.7555250 15 10.1983118 9.9711805 22.1625659 16 12.1628147 11.1017738 23.0785785 17 12.1653129 11.1041383 24.0741003 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5010756 mismatch-density-integration= 0.0369993 mismatch-density-quasiparticle= 1.0508147 Difference in EF= 0.0003135923 EF set to : 8.2462331320 new EF (no-mixing): 8.2462331320 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.185527668567 eV Ratio to renormalize= 0.998153451911672 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 Found EF.dat and EF is 8.24623313200052 sumw= 1000.00000000000 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 2) Finished k-point number 3 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 1) Finished k-point number 2 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942202775863389 0.908018901673040 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0423388 2.0334104 9.9755520 6 5.0845297 2.5822946 11.8862547 7 5.0921185 4.1545609 13.7638399 8 5.7492677 5.1030262 15.3892264 9 5.9335328 5.3493634 16.8595392 10 6.3321001 5.3493634 18.3972168 11 7.4922644 5.3493634 19.8531006 12 7.4958405 8.9967493 21.0510626 gap-size= 1.501 middle-point= 8.246 charge-density= 20.037 13 10.1282226 9.9322930 21.3725108 14 10.1910260 9.9382736 21.7556939 15 10.1985585 9.9714518 22.1626847 16 12.1629429 11.1019788 23.0786498 17 12.1654506 11.1043433 24.0741107 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5009089 mismatch-density-integration= 0.0370393 mismatch-density-quasiparticle= 1.0510626 Difference in EF= 0.0000617639 EF set to : 8.2462948959 new EF (no-mixing): 8.2462948959 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.185449887316 eV Ratio to renormalize= 0.998151458209149 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24629489585557 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 29) Finished k-point number 30 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 8) Finished k-point number 9 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942202067977094 0.908017572987259 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0423678 2.0333326 9.9755539 6 5.0845594 2.5822607 11.8862630 7 5.0921483 4.1545740 13.7638573 8 5.7493067 5.1030700 15.3892514 9 5.9335633 5.3492673 16.8595649 10 6.3321249 5.3492673 18.3972459 11 7.4922783 5.3492673 19.8531312 12 7.4958389 8.9966727 21.0510923 gap-size= 1.501 middle-point= 8.246 charge-density= 20.037 13 10.1282781 9.9323496 21.3725372 14 10.1910833 9.9383304 21.7557152 15 10.1986160 9.9715090 22.1627009 16 12.1629809 11.1020309 23.0786640 17 12.1654812 11.1043954 24.0741155 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5008338 mismatch-density-integration= 0.0369994 mismatch-density-quasiparticle= 1.0510923 Difference in EF= -0.0000390898 EF set to : 8.2462558060 new EF (no-mixing): 8.2462558060 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.185943635138 eV Ratio to renormalize= 0.998153447536718 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.24625580604161 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942202490224013 0.908018303089912 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0423395 2.0333572 9.9755530 6 5.0845307 2.5822625 11.8862592 7 5.0921195 4.1545539 13.7638492 8 5.7492688 5.1030364 15.3892405 9 5.9335359 5.3493002 16.8595547 10 6.3320984 5.3493002 18.3972352 11 7.4922543 5.3493002 19.8531204 12 7.4958355 8.9966979 21.0510828 gap-size= 1.501 middle-point= 8.246 charge-density= 20.037 13 10.1282408 9.9323123 21.3725286 14 10.1910448 9.9382930 21.7557081 15 10.1985774 9.9714713 22.1626952 16 12.1629498 11.1019948 23.0786583 17 12.1654507 11.1043592 24.0741133 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5008624 mismatch-density-integration= 0.0370233 mismatch-density-quasiparticle= 1.0510828 Difference in EF= 0.0000109122 EF set to : 8.2462667182 new EF (no-mixing): 8.2462667182 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.185987401105 eV Ratio to renormalize= 0.998152255719868 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 26) Finished k-point number 27 1 with #bands= 8 Found EF.dat and EF is 8.24626671824639 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942201922060014 0.908017473164448 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0423686 2.0333330 9.9755537 6 5.0845605 2.5822585 11.8862620 7 5.0921494 4.1545745 13.7638549 8 5.7493023 5.1030646 15.3892440 9 5.9335567 5.3492723 16.8595520 10 6.3321242 5.3492723 18.3972273 11 7.4922676 5.3492723 19.8531083 12 7.4958309 8.9966704 21.0510648 gap-size= 1.501 middle-point= 8.246 charge-density= 20.037 13 10.1282552 9.9323257 21.3725130 14 10.1910627 9.9383064 21.7556963 15 10.1985953 9.9714853 22.1626876 16 12.1629742 11.1020147 23.0786563 17 12.1654788 11.1043795 24.0741147 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5008395 mismatch-density-integration= 0.0369919 mismatch-density-quasiparticle= 1.0510648 Difference in EF= -0.0000160831 EF set to : 8.2462506351 new EF (no-mixing): 8.2462506351 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.185883752374 eV Ratio to renormalize= 0.998153821324153 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Found EF.dat and EF is 8.24625063510101 2) Finished k-point number 3 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942201684828645 0.908016928931095 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0423834 2.0333187 9.9755540 6 5.0845757 2.5822591 11.8862628 7 5.0921648 4.1545856 13.7638565 8 5.7493222 5.1030738 15.3892409 9 5.9335606 5.3492547 16.8595418 10 6.3321353 5.3492547 18.3972102 11 7.4922627 5.3492547 19.8530862 12 7.4958209 8.9966549 21.0510361 gap-size= 1.501 middle-point= 8.246 charge-density= 20.037 13 10.1282510 9.9323141 21.3724883 14 10.1910556 9.9382950 21.7556771 15 10.1985885 9.9714742 22.1626746 16 12.1629793 11.1020120 23.0786501 17 12.1654813 11.1043767 24.0741148 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5008341 mismatch-density-integration= 0.0369710 mismatch-density-quasiparticle= 1.0510361 Difference in EF= -0.0000127162 EF set to : 8.2462379189 new EF (no-mixing): 8.2462379189 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.185836528349 eV Ratio to renormalize= 0.998154859349335 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 Found EF.dat and EF is 8.24623791894910 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 25) Finished k-point number 26 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3409892 G= 0.0281672 C= 0.7764828 s0= 0.0641788 A= 2.7878358 G= 0.1477378 C= 1.0634401 s0= -0.0109857 43) Finished k-point number 44 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942201827903841 0.908017285798817 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0423727 2.0333298 9.9755536 6 5.0845649 2.5822598 11.8862613 7 5.0921538 4.1545786 13.7638534 8 5.7493104 5.1030613 15.3892372 9 5.9335506 5.3492679 16.8595388 10 6.3321252 5.3492679 18.3972075 11 7.4922496 5.3492679 19.8530838 12 7.4958210 8.9966671 21.0510348 gap-size= 1.501 middle-point= 8.246 charge-density= 20.037 13 10.1282388 9.9323017 21.3724870 14 10.1910425 9.9382826 21.7556760 15 10.1985752 9.9714617 22.1626735 16 12.1629677 11.1019994 23.0786485 17 12.1654642 11.1043642 24.0741140 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5008461 mismatch-density-integration= 0.0369818 mismatch-density-quasiparticle= 1.0510348 Difference in EF= 0.0000061030 EF set to : 8.2462440220 new EF (no-mixing): 8.2462440220 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.185845238018 eV Ratio to renormalize= 0.998154323272598 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 13) Finished k-point number 14 1 with #bands= 9 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 42) Finished k-point number 43 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 10) Finished k-point number 11 1 with #bands= 8 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: 27) Finished k-point number 28 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: 26) Finished k-point number 27 1 with #bands= 8 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 16) Finished k-point number 17 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 23) Finished k-point number 24 1 with #bands= 8 Found EF.dat and EF is 8.24624402195073 20) Finished k-point number 21 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 0) Finished k-point number 1 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942201910635578 0.908017388946369 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9415306 2.0234397 9.9739398 6 4.9888762 2.5786565 11.8812372 7 4.9973933 4.1194826 13.7565270 8 5.6588682 5.0730743 15.4027532 9 5.8749911 5.3492724 16.8808337 10 6.2527959 5.3492724 18.4400539 11 7.4867034 5.3492724 19.9052291 12 7.4903123 8.9966717 21.0882202 gap-size= 1.506 middle-point= 8.243 charge-density= 20.034 13 10.7817109 10.5844271 21.4308006 14 10.8470436 10.5914407 21.7986233 15 10.8557079 10.6303598 22.1834532 16 12.1660587 11.1009796 23.0759469 17 12.1685882 11.1033529 24.0743070 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5063594 mismatch-density-integration= 0.0335886 mismatch-density-quasiparticle= 1.0882202 Difference in EF= -0.0027520410 EF set to : 8.2434919809 new EF (no-mixing): 8.2434919809 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.214369529245 eV Ratio to renormalize= 0.998323387658690 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Found EF.dat and EF is 8.24349198091764 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 3) Finished k-point number 4 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942201966383047 0.908017488537884 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 4.9411553 2.0234271 9.9739178 6 4.9885142 2.5784607 11.8811291 7 4.9970337 4.1194909 13.7562987 8 5.6582711 5.0726112 15.4018045 9 5.8744502 5.3492809 16.8798317 10 6.2522564 5.3492809 18.4386723 11 7.4853818 5.3492809 19.9036050 12 7.4889765 8.9966786 21.0862731 gap-size= 1.508 middle-point= 8.243 charge-density= 20.033 13 10.7794593 10.5820329 21.4289276 14 10.8448475 10.5890489 21.7970899 15 10.8535144 10.6279813 22.1822686 16 12.1649101 11.0991844 23.0753367 17 12.1674367 11.1015583 24.0742226 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5077021 mismatch-density-integration= 0.0331749 mismatch-density-quasiparticle= 1.0862731 Difference in EF= -0.0006644279 EF set to : 8.2428275530 new EF (no-mixing): 8.2428275530 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.217345146486 eV Ratio to renormalize= 0.998344000371925 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 1) Finished k-point number 2 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 Found EF.dat and EF is 8.24282755299112 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 2) Finished k-point number 3 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 39) Finished k-point number 40 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 18) Finished k-point number 19 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942202143155083 0.908017790927875 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9410556 2.0234309 9.9739123 6 4.9884175 2.5784177 11.8811023 7 4.9969375 4.1195011 13.7562421 8 5.6581135 5.0724899 15.4015814 9 5.8743087 5.3492909 16.8795917 10 6.2521179 5.3492909 18.4383428 11 7.4850684 5.3492909 19.9032183 12 7.4886475 8.9966883 21.0858108 gap-size= 1.508 middle-point= 8.243 charge-density= 20.033 13 10.7789135 10.5814537 21.4284818 14 10.8443145 10.5884702 21.7967246 15 10.8529820 10.6274056 22.1819860 16 12.1646261 11.0987469 23.0751909 17 12.1671529 11.1011209 24.0742019 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5080408 mismatch-density-integration= 0.0330826 mismatch-density-quasiparticle= 1.0858108 Difference in EF= -0.0001596453 EF set to : 8.2426679077 new EF (no-mixing): 8.2426679077 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.218127787536 eV Ratio to renormalize= 0.998348602162166 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 Found EF.dat and EF is 8.24266790769118 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 21) Finished k-point number 22 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942202272480091 0.908017967520711 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9410264 2.0234317 9.9739110 6 4.9883888 2.5784040 11.8810957 7 4.9969090 4.1195033 13.7562282 8 5.6580724 5.0724560 15.4015295 9 5.8742688 5.3492927 16.8795357 10 6.2520799 5.3492927 18.4382664 11 7.4849891 5.3492927 19.9031288 12 7.4885735 8.9966914 21.0857043 gap-size= 1.508 middle-point= 8.243 charge-density= 20.033 13 10.7787810 10.5813137 21.4283787 14 10.8441849 10.5883304 21.7966399 15 10.8528525 10.6272664 22.1819203 16 12.1645539 11.0986396 23.0751570 17 12.1670872 11.1010135 24.0741969 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5081179 mismatch-density-integration= 0.0330663 mismatch-density-quasiparticle= 1.0857043 Difference in EF= -0.0000354820 EF set to : 8.2426324257 new EF (no-mixing): 8.2426324257 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.218373549513 eV Ratio to renormalize= 0.998349414684590 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 1) Finished k-point number 2 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 Found EF.dat and EF is 8.24263242572389 2) Finished k-point number 3 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 7) Finished k-point number 8 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942202011838067 0.908017581703665 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9410316 2.0234149 9.9739111 6 4.9883946 2.5783968 11.8810958 7 4.9969148 4.1194836 13.7562283 8 5.6580737 5.0724602 15.4015179 9 5.8742746 5.3492729 16.8795217 10 6.2520806 5.3492729 18.4382449 11 7.4849685 5.3492729 19.9031023 12 7.4885501 8.9966740 21.0856705 gap-size= 1.508 middle-point= 8.243 charge-density= 20.033 13 10.7787547 10.5812843 21.4283483 14 10.8441600 10.5883010 21.7966155 15 10.8528277 10.6272375 22.1819022 16 12.1645458 11.0986214 23.0751479 17 12.1670748 11.1009955 24.0741965 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5081240 mismatch-density-integration= 0.0330458 mismatch-density-quasiparticle= 1.0856705 Difference in EF= -0.0000203789 EF set to : 8.2426120468 new EF (no-mixing): 8.2426120468 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.218458904286 eV Ratio to renormalize= 0.998350436274779 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 2) Finished k-point number 3 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 Found EF.dat and EF is 8.24261204679020 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 16) Finished k-point number 17 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: 38) Finished k-point number 39 1 with #bands= 8 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 18) Finished k-point number 19 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942202177965390 0.908017812405460 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9410220 2.0234238 9.9739107 6 4.9883848 2.5783950 11.8810941 7 4.9969050 4.1194948 13.7562249 8 5.6580590 5.0724495 15.4015113 9 5.8742621 5.3492843 16.8795153 10 6.2520711 5.3492843 18.4382374 11 7.4849444 5.3492843 19.9030942 12 7.4885612 8.9966835 21.0856619 gap-size= 1.508 middle-point= 8.243 charge-density= 20.033 13 10.7787362 10.5812656 21.4283387 14 10.8441415 10.5882823 21.7966074 15 10.8528092 10.6272187 22.1818955 16 12.1645310 11.0986049 23.0751443 17 12.1670760 11.1009788 24.0741954 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5081223 mismatch-density-integration= 0.0330574 mismatch-density-quasiparticle= 1.0856619 Difference in EF= 0.0000102885 EF set to : 8.2426223353 new EF (no-mixing): 8.2426223353 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.218431671913 eV Ratio to renormalize= 0.998349855640478 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24262233532242 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 19) Finished k-point number 20 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 16) Finished k-point number 17 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942202390429440 0.908018201396928 0) Finished k-point number 1 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9410127 2.0234352 9.9739105 6 4.9883752 2.5784021 11.8810935 7 4.9968953 4.1195075 13.7562236 8 5.6580500 5.0724404 15.4015155 9 5.8742509 5.3492965 16.8795211 10 6.2520637 5.3492965 18.4382472 11 7.4849616 5.3492965 19.9031068 12 7.4885539 8.9966967 21.0856787 gap-size= 1.508 middle-point= 8.243 charge-density= 20.033 13 10.7787418 10.5812730 21.4283532 14 10.8441461 10.5882897 21.7966188 15 10.8528137 10.6272258 22.1819036 16 12.1645285 11.0986065 23.0751483 17 12.1670616 11.1009804 24.0741953 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5081429 mismatch-density-integration= 0.0330678 mismatch-density-quasiparticle= 1.0856787 Difference in EF= 0.0000029656 EF set to : 8.2426253010 new EF (no-mixing): 8.2426253010 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.218481650847 eV Ratio to renormalize= 0.998349338616269 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Found EF.dat and EF is 8.24262530095585 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942203785749494 0.908020518366797 41) Finished k-point number 42 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9409518 2.0235053 9.9739088 6 4.9883123 2.5784203 11.8810872 7 4.9968320 4.1195836 13.7562112 8 5.6579809 5.0723780 15.4015209 9 5.8741742 5.3493678 16.8795342 10 6.2520091 5.3493678 18.4382762 11 7.4849552 5.3493678 19.9031467 12 7.4885648 8.9967808 21.0857369 gap-size= 1.508 middle-point= 8.243 charge-density= 20.033 13 10.7787276 10.5812672 21.4283986 14 10.8441276 10.5882835 21.7966534 15 10.8527947 10.6272179 22.1819264 16 12.1644803 11.0985789 23.0751588 17 12.1670213 11.1009524 24.0741922 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5082160 mismatch-density-integration= 0.0331472 mismatch-density-quasiparticle= 1.0857369 Difference in EF= 0.0000474942 EF set to : 8.2426727952 new EF (no-mixing): 8.2426727952 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.218629818485 eV Ratio to renormalize= 0.998345380270856 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.24267279515750 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942206615639876 0.908025237138397 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9408371 2.0236496 9.9739056 6 4.9881934 2.5784602 11.8810761 7 4.9967122 4.1197381 13.7561895 8 5.6578494 5.0722606 15.4015449 9 5.8740294 5.3495121 16.8795749 10 6.2519083 5.3495121 18.4383545 11 7.4849743 5.3495121 19.9032506 12 7.4885877 8.9969546 21.0858822 gap-size= 1.508 middle-point= 8.243 charge-density= 20.033 13 10.7787333 10.5812918 21.4285169 14 10.8441237 10.5883074 21.7967453 15 10.8527899 10.6272381 22.1819894 16 12.1644034 11.0985510 23.0751888 17 12.1669382 11.1009237 24.0741873 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5083669 mismatch-density-integration= 0.0333077 mismatch-density-quasiparticle= 1.0858822 Difference in EF= 0.0000983400 EF set to : 8.2427711351 new EF (no-mixing): 8.2427711351 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.218892099746 eV Ratio to renormalize= 0.998337382086240 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Found EF.dat and EF is 8.24277113512445 2) Finished k-point number 3 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 33) Finished k-point number 34 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942272298940406 0.908134146241057 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9380307 2.0269678 9.9738252 6 4.9852939 2.5793292 11.8807801 7 4.9937944 4.1233074 13.7556045 8 5.6545709 5.0693695 15.4018025 9 5.8704695 5.3528465 16.8801556 10 6.2493724 5.3528465 18.4396724 11 7.4850614 5.3528465 19.9050692 12 7.4886269 9.0009618 21.0885463 gap-size= 1.512 middle-point= 8.245 charge-density= 20.037 13 10.7780444 10.5809897 21.4305852 14 10.8432341 10.5879896 21.7983230 15 10.8518794 10.6268409 22.1830251 16 12.1622041 11.0972478 23.0756652 17 12.1647181 11.0996019 24.0740430 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5123349 mismatch-density-integration= 0.0368734 mismatch-density-quasiparticle= 1.0885463 Difference in EF= 0.0020232381 EF set to : 8.2447943732 new EF (no-mixing): 8.2447943732 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.226182669769 eV Ratio to renormalize= 0.998159722558006 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 3) Finished k-point number 4 1 with #bands= 9 Found EF.dat and EF is 8.24479437322161 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 0) Finished k-point number 1 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 35) Finished k-point number 36 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 34) Finished k-point number 35 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942236227351172 0.908074031935921 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9399374 2.0251027 9.9738881 6 4.9872421 2.5789602 11.8810339 7 4.9957511 4.1211981 13.7561192 8 5.6568954 5.0713840 15.4023716 9 5.8729066 5.3508254 16.8805892 10 6.2512073 5.3508254 18.4399737 11 7.4859470 5.3508254 19.9052707 12 7.4895486 8.9987717 21.0885131 gap-size= 1.509 middle-point= 8.244 charge-density= 20.035 13 10.7801372 10.5829755 21.4308305 14 10.8453991 10.5899824 21.7985920 15 10.8540541 10.6288677 22.1833379 16 12.1642830 11.0993484 23.0758622 17 12.1668051 11.1017123 24.0741876 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5092230 mismatch-density-integration= 0.0351730 mismatch-density-quasiparticle= 1.0885131 Difference in EF= -0.0006342412 EF set to : 8.2441601320 new EF (no-mixing): 8.2441601320 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.220231447799 eV Ratio to renormalize= 0.998244437171528 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24416013203982 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 44) Finished k-point number 45 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942236221386938 0.908073937187111 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9398955 2.0250963 9.9738837 6 4.9872034 2.5789131 11.8810121 7 4.9957131 4.1211576 13.7560736 8 5.6567900 5.0713195 15.4021432 9 5.8728224 5.3507665 16.8803517 10 6.2511077 5.3507665 18.4396415 11 7.4856270 5.3507665 19.9048783 12 7.4892253 8.9987961 21.0880387 gap-size= 1.510 middle-point= 8.244 charge-density= 20.035 13 10.7796266 10.5824306 21.4303774 14 10.8449031 10.5894382 21.7982225 15 10.8535589 10.6283268 22.1830543 16 12.1640270 11.0989516 23.0757176 17 12.1665639 11.1013155 24.0741685 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5095709 mismatch-density-integration= 0.0350557 mismatch-density-quasiparticle= 1.0880387 Difference in EF= -0.0001494507 EF set to : 8.2440106813 new EF (no-mixing): 8.2440106813 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.220757586858 eV Ratio to renormalize= 0.998250281504042 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 1) Finished k-point number 2 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 Found EF.dat and EF is 8.24401068129087 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 0) Finished k-point number 1 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942251221905589 0.908099509097342 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9393372 2.0260690 9.9738615 6 4.9866242 2.5792501 11.8809277 7 4.9951298 4.1221773 13.7559056 8 5.6560995 5.0707307 15.4020951 9 5.8720683 5.3517196 16.8803695 10 6.2505988 5.3517196 18.4397898 11 7.4856624 5.3517196 19.9051155 12 7.4892254 8.9999195 21.0884366 gap-size= 1.511 middle-point= 8.245 charge-density= 20.036 13 10.7793495 10.5822285 21.4306418 14 10.8445858 10.5892326 21.7984109 15 10.8532368 10.6281036 22.1831554 16 12.1635300 11.0985832 23.0757558 17 12.1660470 11.1009428 24.0741237 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5106942 mismatch-density-integration= 0.0358549 mismatch-density-quasiparticle= 1.0884366 Difference in EF= 0.0005617824 EF set to : 8.2445724637 new EF (no-mixing): 8.2445724637 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.219363214549 eV Ratio to renormalize= 0.998210464349323 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24457246369681 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 0) Finished k-point number 1 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942243195359778 0.908085161910980 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 37) Finished k-point number 38 1 with #bands= 8 Weights and bands 5 4.9396056 2.0253588 9.9738794 6 4.9869018 2.5789674 11.8810006 7 4.9954093 4.1214511 13.7560531 8 5.6564897 5.0710356 15.4023358 9 5.8724825 5.3510417 16.8805820 10 6.2508726 5.3510417 18.4400118 11 7.4857954 5.3510417 19.9053413 12 7.4893839 8.9991305 21.0886439 gap-size= 1.510 middle-point= 8.244 charge-density= 20.035 13 10.7798733 10.5827410 21.4309090 14 10.8451195 10.5897466 21.7986463 15 10.8537726 10.6286249 22.1833632 16 12.1639314 11.0990575 23.0758710 17 12.1664501 11.1014193 24.0741682 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5097466 mismatch-density-integration= 0.0354874 mismatch-density-quasiparticle= 1.0886439 Difference in EF= -0.0003152590 EF set to : 8.2442572047 new EF (no-mixing): 8.2442572047 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.222522813726 eV Ratio to renormalize= 0.998228772122656 nargs= 1 argi=dmft2.def Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 Found EF.dat and EF is 8.24425720474550 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 46) Finished k-point number 47 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942238141669108 0.908076349735387 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9399753 2.0250834 9.9738860 6 4.9872812 2.5788745 11.8810245 7 4.9957908 4.1210038 13.7561019 8 5.6568488 5.0713922 15.4021753 9 5.8728737 5.3505414 16.8803943 10 6.2511201 5.3505414 18.4396932 11 7.4855841 5.3505414 19.9049373 12 7.4891463 8.9989208 21.0881066 gap-size= 1.510 middle-point= 8.244 charge-density= 20.035 13 10.7797117 10.5825267 21.4304434 14 10.8449874 10.5895342 21.7982805 15 10.8536430 10.6284211 22.1831025 16 12.1640184 11.0990310 23.0757477 17 12.1665466 11.1013942 24.0741709 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5097745 mismatch-density-integration= 0.0350630 mismatch-density-quasiparticle= 1.0881066 Difference in EF= -0.0002236846 EF set to : 8.2440335202 new EF (no-mixing): 8.2440335202 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.221627535123 eV Ratio to renormalize= 0.998249920249028 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Found EF.dat and EF is 8.24403352018110 sumw= 1000.00000000000 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 0) Finished k-point number 1 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942234358542557 0.908069524292725 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9402485 2.0248899 9.9738904 6 4.9875623 2.5788429 11.8810391 7 4.9960735 4.1207434 13.7561302 8 5.6571177 5.0716574 15.4020511 9 5.8731692 5.3502750 16.8802482 10 6.2513231 5.3502750 18.4394500 11 7.4854486 5.3502750 19.9046316 12 7.4890462 8.9987535 21.0877040 gap-size= 1.510 middle-point= 8.244 charge-density= 20.035 13 10.7796021 10.5823757 21.4300935 14 10.8448986 10.5893846 21.7980045 15 10.8535559 10.6282784 22.1829049 16 12.1641097 11.0990181 23.0756523 17 12.1666382 11.1013824 24.0741723 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5097073 mismatch-density-integration= 0.0347600 mismatch-density-quasiparticle= 1.0877040 Difference in EF= -0.0001336961 EF set to : 8.2438998241 new EF (no-mixing): 8.2438998241 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.220553409756 eV Ratio to renormalize= 0.998265017687802 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Found EF.dat and EF is 8.24389982408110 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942234414675674 0.908070055578124 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9403070 2.0250673 9.9738871 6 4.9876212 2.5789622 11.8810241 7 4.9961324 4.1209361 13.7560990 8 5.6571619 5.0717077 15.4019610 9 5.8732111 5.3504704 16.8801555 10 6.2513808 5.3504704 18.4393284 11 7.4854677 5.3504704 19.9044914 12 7.4890660 8.9989162 21.0875404 gap-size= 1.510 middle-point= 8.244 charge-density= 20.035 13 10.7795084 10.5822711 21.4299309 14 10.8448087 10.5892801 21.7978696 15 10.8534661 10.6281744 22.1827982 16 12.1641192 11.0989601 23.0755958 17 12.1666367 11.1013243 24.0741626 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5098502 mismatch-density-integration= 0.0347573 mismatch-density-quasiparticle= 1.0875404 Difference in EF= 0.0000912466 EF set to : 8.2439910706 new EF (no-mixing): 8.2439910706 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.217936254869 eV Ratio to renormalize= 0.998265150579954 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 3) Finished k-point number 4 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24399107064272 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 46) Finished k-point number 47 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942235479937406 0.908072048293318 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9403614 2.0252592 9.9738850 6 4.9876739 2.5791023 11.8810160 7 4.9961847 4.1211415 13.7560827 8 5.6572020 5.0717596 15.4019530 9 5.8732518 5.3506766 16.8801549 10 6.2514451 5.3506766 18.4393388 11 7.4855847 5.3506766 19.9045098 12 7.4891845 8.9991160 21.0875730 gap-size= 1.510 middle-point= 8.244 charge-density= 20.035 13 10.7795891 10.5823574 21.4299516 14 10.8448859 10.5893660 21.7978841 15 10.8535430 10.6282590 22.1828057 16 12.1641837 11.0990301 23.0755977 17 12.1667166 11.1013941 24.0741584 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5099315 mismatch-density-integration= 0.0348290 mismatch-density-quasiparticle= 1.0875730 Difference in EF= 0.0001591952 EF set to : 8.2441502659 new EF (no-mixing): 8.2441502659 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.215544769951 eV Ratio to renormalize= 0.998261577172600 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24415026588230 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 0) Finished k-point number 1 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942235783900878 0.908072410230925 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9403609 2.0252364 9.9738865 6 4.9876724 2.5790905 11.8810232 7 4.9961831 4.1211145 13.7560980 8 5.6572177 5.0717641 15.4020159 9 5.8732590 5.3506484 16.8802227 10 6.2514525 5.3506484 18.4394329 11 7.4856562 5.3506484 19.9046212 12 7.4892325 8.9991027 21.0877077 gap-size= 1.510 middle-point= 8.244 charge-density= 20.035 13 10.7797140 10.5824927 21.4300804 14 10.8450067 10.5895011 21.7979897 15 10.8536635 10.6283930 22.1828873 16 12.1642310 11.0991234 23.0756399 17 12.1667527 11.1014874 24.0741637 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5098702 mismatch-density-integration= 0.0348588 mismatch-density-quasiparticle= 1.0877077 Difference in EF= 0.0000173083 EF set to : 8.2441675742 new EF (no-mixing): 8.2441675742 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.215969475773 eV Ratio to renormalize= 0.998260091534303 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 33) Finished k-point number 34 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 Found EF.dat and EF is 8.24416757416654 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 beta....= 38.6833333300001 n0_om...= 75 44) Finished k-point number 45 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 The pole approximation for the self-energy: A= 8.3522550 G= 0.0252437 C= 0.7678985 s0= 0.0647735 A= 3.7490815 G= 0.3443828 C= 1.6116411 s0= -0.0102709 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942235716581850 0.908072370244311 0) Finished k-point number 1 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 4.9403621 2.0252434 9.9738865 6 4.9876734 2.5790937 11.8810234 7 4.9961841 4.1211229 13.7560984 8 5.6572176 5.0717661 15.4020214 9 5.8732618 5.3506570 16.8802283 10 6.2514564 5.3506570 18.4394411 11 7.4856521 5.3506570 19.9046309 12 7.4892594 8.9991046 21.0877195 gap-size= 1.510 middle-point= 8.244 charge-density= 20.035 13 10.7797280 10.5825075 21.4300914 14 10.8450204 10.5895160 21.7979985 15 10.8536771 10.6284078 22.1828939 16 12.1642379 11.0991345 23.0756432 17 12.1667694 11.1014984 24.0741641 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5098453 mismatch-density-integration= 0.0348676 mismatch-density-quasiparticle= 1.0877195 Difference in EF= 0.0000144076 EF set to : 8.2441819818 new EF (no-mixing): 8.2441819818 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.215821227884 eV Ratio to renormalize= 0.998259653845523 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 9) Finished k-point number 10 1 with #bands= 8 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: 7) Finished k-point number 8 1 with #bands= 9 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: 35) Finished k-point number 36 1 with #bands= 8 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: 20) Finished k-point number 21 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 27) Finished k-point number 28 1 with #bands= 8 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 39) Finished k-point number 40 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 The pole approximation for the self-energy: 24) Finished k-point number 25 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 40) Finished k-point number 41 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 The pole approximation for the self-energy: 36) Finished k-point number 37 1 with #bands= 8 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 44) Finished k-point number 45 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 21) Finished k-point number 22 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 Found EF.dat and EF is 8.24418198179738 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 45) Finished k-point number 46 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942235353726010 0.908071882677706 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0608420 2.0368165 9.9755468 6 5.0904792 2.5812452 11.8853911 7 5.0916266 4.1696249 13.7615921 8 5.7661758 5.1095267 15.3672496 9 5.9250689 5.3506625 16.8588294 10 6.3523108 5.3506625 18.4001055 11 7.4868629 5.3506625 19.8653915 12 7.4905019 8.9991008 21.0672148 gap-size= 1.509 middle-point= 8.245 charge-density= 20.028 13 10.1429310 9.9506342 21.3832766 14 10.2047567 9.9565213 21.7596260 15 10.2121925 9.9891889 22.1595254 16 12.1745278 11.1123676 23.0775550 17 12.1770444 11.1147376 24.0743470 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5085990 mismatch-density-integration= 0.0283673 mismatch-density-quasiparticle= 1.0672148 Difference in EF= 0.0006193754 EF set to : 8.2448013572 new EF (no-mixing): 8.2448013572 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.259503023333 eV Ratio to renormalize= 0.998583641760418 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Found EF.dat and EF is 8.24480135723167 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 5) Finished k-point number 6 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 26) Finished k-point number 27 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942236509033466 0.908073653608009 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0608219 2.0368166 9.9755507 6 5.0906142 2.5812568 11.8854120 7 5.0917612 4.1695873 13.7616370 8 5.7662148 5.1095012 15.3674074 9 5.9252408 5.3506759 16.8590981 10 6.3523503 5.3506759 18.4004995 11 7.4871408 5.3506759 19.8658686 12 7.4907753 8.9991008 21.0677885 gap-size= 1.508 middle-point= 8.245 charge-density= 20.029 13 10.1434105 9.9511611 21.3837756 14 10.2052169 9.9570475 21.7600153 15 10.2126518 9.9897108 22.1597977 16 12.1747192 11.1127286 23.0777117 17 12.1772238 11.1150981 24.0743652 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5083255 mismatch-density-integration= 0.0285283 mismatch-density-quasiparticle= 1.0677885 Difference in EF= 0.0001366637 EF set to : 8.2449380210 new EF (no-mixing): 8.2449380210 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.260061380031 eV Ratio to renormalize= 0.998575617393556 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 2) Finished k-point number 3 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24493802097342 11) Finished k-point number 12 1 with #bands= 8 sumw= 1000.00000000000 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 29) Finished k-point number 30 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 26) Finished k-point number 27 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942235212298993 0.908071437803691 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0609263 2.0367610 9.9755535 6 5.0907333 2.5812574 11.8854237 7 5.0918804 4.1696664 13.7616614 8 5.7663341 5.1096070 15.3674398 9 5.9253416 5.3505982 16.8591281 10 6.3524500 5.3505982 18.4005300 11 7.4872094 5.3505982 19.8659001 12 7.4908399 8.9990439 21.0678166 gap-size= 1.508 middle-point= 8.245 charge-density= 20.028 13 10.1435428 9.9512925 21.3838007 14 10.2053519 9.9571791 21.7600362 15 10.2127871 9.9898433 22.1598147 16 12.1748323 11.1128557 23.0777285 17 12.1773391 11.1152255 24.0743720 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5082040 mismatch-density-integration= 0.0284668 mismatch-density-quasiparticle= 1.0678166 Difference in EF= 0.0000039147 EF set to : 8.2449419357 new EF (no-mixing): 8.2449419357 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.259460825545 eV Ratio to renormalize= 0.998578680746613 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 Found EF.dat and EF is 8.24494193566254 5) Finished k-point number 6 1 with #bands= 9 sumw= 1000.00000000000 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 7) Finished k-point number 8 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942234622753789 0.908070565053240 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0609655 2.0367367 9.9755542 6 5.0907663 2.5812547 11.8854268 7 5.0919136 4.1696982 13.7616679 8 5.7663784 5.1096472 15.3674410 9 5.9253639 5.3505602 16.8591202 10 6.3524816 5.3505602 18.4005132 11 7.4872124 5.3505602 19.8658775 12 7.4908322 8.9990218 21.0677857 gap-size= 1.508 middle-point= 8.245 charge-density= 20.028 13 10.1435552 9.9513014 21.3837742 14 10.2053668 9.9571880 21.7600160 15 10.2128021 9.9898529 22.1598016 16 12.1748571 11.1128751 23.0777237 17 12.1773625 11.1152452 24.0743733 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5081897 mismatch-density-integration= 0.0284296 mismatch-density-quasiparticle= 1.0677857 Difference in EF= -0.0000149363 EF set to : 8.2449269993 new EF (no-mixing): 8.2449269993 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.259292854532 eV Ratio to renormalize= 0.998580536338041 nargs= 1 argi=dmft2.def Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Found EF.dat and EF is 8.24492699933289 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 1) Finished k-point number 2 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 37) Finished k-point number 38 1 with #bands= 8 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 29) Finished k-point number 30 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942237089977564 0.908074795353372 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0608297 2.0369024 9.9755503 6 5.0906470 2.5813165 11.8854108 7 5.0917939 4.1696018 13.7616349 8 5.7662240 5.1095074 15.3674250 9 5.9252920 5.3507769 16.8591394 10 6.3523751 5.3507769 18.4005660 11 7.4872264 5.3507769 19.8659515 12 7.4908707 8.9991819 21.0678920 gap-size= 1.508 middle-point= 8.245 charge-density= 20.029 13 10.1435097 9.9512699 21.3838652 14 10.2053111 9.9571561 21.7600846 15 10.2127457 9.9898181 22.1598450 16 12.1747704 11.1128048 23.0777356 17 12.1772756 11.1151742 24.0743660 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5083112 mismatch-density-integration= 0.0285892 mismatch-density-quasiparticle= 1.0678920 Difference in EF= 0.0000992990 EF set to : 8.2450262983 new EF (no-mixing): 8.2450262983 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.259142038307 eV Ratio to renormalize= 0.998572580907618 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24502629830062 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 8) Finished k-point number 9 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 4) Finished k-point number 5 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 5) Finished k-point number 6 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 9) Finished k-point number 10 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 26) Finished k-point number 27 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 31) Finished k-point number 32 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942236446594129 0.908073737473658 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0608993 2.0368926 9.9755517 6 5.0907274 2.5813327 11.8854172 7 5.0918744 4.1696583 13.7616480 8 5.7663043 5.1095776 15.3674445 9 5.9253641 5.3507569 16.8591601 10 6.3524438 5.3507569 18.4005896 11 7.4872871 5.3507569 19.8659772 12 7.4909233 8.9991722 21.0679180 gap-size= 1.508 middle-point= 8.245 charge-density= 20.029 13 10.1436038 9.9513646 21.3838881 14 10.2054062 9.9572508 21.7601030 15 10.2128409 9.9899133 22.1598591 16 12.1748498 11.1128940 23.0777472 17 12.1773514 11.1152635 24.0743697 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5082490 mismatch-density-integration= 0.0285609 mismatch-density-quasiparticle= 1.0679180 Difference in EF= 0.0000214480 EF set to : 8.2450477463 new EF (no-mixing): 8.2450477463 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.258497345786 eV Ratio to renormalize= 0.998573989605369 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.24504774627664 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 0) Finished k-point number 1 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942237434400061 0.908075383358509 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0608390 2.0369303 9.9755507 6 5.0906808 2.5813363 11.8854136 7 5.0918276 4.1696115 13.7616409 8 5.7662390 5.1095155 15.3674504 9 5.9253341 5.3508048 16.8591851 10 6.3523945 5.3508048 18.4006343 11 7.4873037 5.3508048 19.8660350 12 7.4909252 8.9992134 21.0679936 gap-size= 1.508 middle-point= 8.245 charge-density= 20.029 13 10.1436056 9.9513746 21.3839536 14 10.2054034 9.9572606 21.7601536 15 10.2128377 9.9899218 22.1598933 16 12.1748150 11.1128792 23.0777627 17 12.1773232 11.1152485 24.0743685 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5082882 mismatch-density-integration= 0.0286225 mismatch-density-quasiparticle= 1.0679936 Difference in EF= 0.0000216006 EF set to : 8.2450693469 new EF (no-mixing): 8.2450693469 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.258884962295 eV Ratio to renormalize= 0.998570920432852 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Found EF.dat and EF is 8.24506934690406 3) Finished k-point number 4 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 26) Finished k-point number 27 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942237831611520 0.908076142270643 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0608082 2.0369577 9.9755501 6 5.0906630 2.5813458 11.8854113 7 5.0918099 4.1695852 13.7616362 8 5.7662080 5.1094839 15.3674540 9 5.9253278 5.3508513 16.8592001 10 6.3523745 5.3508513 18.4006610 11 7.4873217 5.3508513 19.8660688 12 7.4909430 8.9992340 21.0680370 gap-size= 1.508 middle-point= 8.245 charge-density= 20.029 13 10.1436155 9.9513888 21.3839908 14 10.2054103 9.9572746 21.7601818 15 10.2128445 9.9899352 22.1599118 16 12.1748084 11.1128800 23.0777709 17 12.1773153 11.1152492 24.0743681 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5082910 mismatch-density-integration= 0.0286567 mismatch-density-quasiparticle= 1.0680370 Difference in EF= 0.0000191700 EF set to : 8.2450885169 new EF (no-mixing): 8.2450885169 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.258903024886 eV Ratio to renormalize= 0.998569213509156 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.24508851693515 sumw= 1000.00000000000 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 6) Finished k-point number 7 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 24) Finished k-point number 25 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942244162641205 0.908087177099389 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0604069 2.0373158 9.9755408 6 5.0903412 2.5814599 11.8853748 7 5.0914871 4.1692764 13.7615607 8 5.7657818 5.1090719 15.3674418 9 5.9251297 5.3513598 16.8592957 10 6.3520607 5.3513598 18.4008635 11 7.4873858 5.3513598 19.8663381 12 7.4910157 8.9995735 21.0684029 gap-size= 1.509 middle-point= 8.245 charge-density= 20.029 13 10.1435328 9.9513496 21.3843049 14 10.2052980 9.9572338 21.7604194 15 10.2127300 9.9898869 22.1600652 16 12.1745800 11.1127182 23.0778269 17 12.1770858 11.1150857 24.0743531 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5085578 mismatch-density-integration= 0.0290753 mismatch-density-quasiparticle= 1.0684029 Difference in EF= 0.0002060687 EF set to : 8.2452945857 new EF (no-mixing): 8.2452945857 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.259639250274 eV Ratio to renormalize= 0.998548347256055 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 Found EF.dat and EF is 8.24529458567943 sumw= 1000.00000000000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: 8) Finished k-point number 9 1 with #bands= 9 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942284678010743 0.908156869979418 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0579169 2.0394973 9.9754843 6 5.0883281 2.5820794 11.8851551 7 5.0894685 4.1673731 13.7611081 8 5.7631232 5.1065141 15.3673969 9 5.9238802 5.3543860 16.8599386 10 6.3500922 5.3543860 18.4021881 11 7.4877831 5.3543860 19.8680989 12 7.4913949 9.0017018 21.0707891 gap-size= 1.510 middle-point= 8.247 charge-density= 20.032 13 10.1430844 9.9511816 21.3863580 14 10.2046635 9.9570558 21.7619801 15 10.2120822 9.9896616 22.1610846 16 12.1731286 11.1117481 23.0782133 17 12.1756277 11.1141048 24.0742638 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5103069 mismatch-density-integration= 0.0316925 mismatch-density-quasiparticle= 1.0707891 Difference in EF= 0.0012537566 EF set to : 8.2465483422 new EF (no-mixing): 8.2465483422 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.266338974063 eV Ratio to renormalize= 0.998417882478140 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 19) Finished k-point number 20 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 35) Finished k-point number 36 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24654834224126 sumw= 1000.00000000000 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 30) Finished k-point number 31 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 0) Finished k-point number 1 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942297482794358 0.908178702351993 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0573054 2.0401216 9.9754772 6 5.0881266 2.5823132 11.8851390 7 5.0892649 4.1668933 13.7610790 8 5.7625652 5.1058749 15.3676806 9 5.9239318 5.3551941 16.8606024 10 6.3497080 5.3551941 18.4032567 11 7.4884188 5.3551941 19.8694324 12 7.4920412 9.0023435 21.0724600 gap-size= 1.510 middle-point= 8.247 charge-density= 20.033 13 10.1439118 9.9521706 21.3878063 14 10.2054082 9.9580408 21.7630995 15 10.2128217 9.9906262 22.1618489 16 12.1731582 11.1122289 23.0786025 17 12.1756441 11.1145817 24.0742743 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5103024 mismatch-density-integration= 0.0326692 mismatch-density-quasiparticle= 1.0724600 Difference in EF= 0.0006440078 EF set to : 8.2471923501 new EF (no-mixing): 8.2471923501 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.268015264336 eV Ratio to renormalize= 0.998369206311882 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24719235008897 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: sumw= 1000.00000000000 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 0) Finished k-point number 1 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 26) Finished k-point number 27 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942294632583161 0.908173962907306 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0575735 2.0399142 9.9754875 6 5.0885183 2.5822813 11.8851855 7 5.0896570 4.1670913 13.7611772 8 5.7629010 5.1061441 15.3678543 9 5.9242681 5.3548746 16.8608172 10 6.3499696 5.3548746 18.4035300 11 7.4886801 5.3548746 19.8697432 12 7.4922845 9.0021696 21.0728016 gap-size= 1.510 middle-point= 8.247 charge-density= 20.033 13 10.1444787 9.9527592 21.3881055 14 10.2059744 9.9586295 21.7633360 15 10.2133883 9.9912151 22.1620199 16 12.1735329 11.1127382 23.0787230 17 12.1760205 11.1150918 24.0743025 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5098852 mismatch-density-integration= 0.0325601 mismatch-density-quasiparticle= 1.0728016 Difference in EF= 0.0000347029 EF set to : 8.2472270530 new EF (no-mixing): 8.2472270530 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.267564082973 eV Ratio to renormalize= 0.998374640334810 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Found EF.dat and EF is 8.24722705296836 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 0) Finished k-point number 1 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 30) Finished k-point number 31 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 31) Finished k-point number 32 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 24) Finished k-point number 25 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942295864710226 0.908176178333040 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0575000 2.0399325 9.9754869 6 5.0884942 2.5822907 11.8851838 7 5.0896326 4.1670320 13.7611735 8 5.7628281 5.1060686 15.3678705 9 5.9242496 5.3549121 16.8608548 10 6.3499050 5.3549121 18.4035921 11 7.4886909 5.3549121 19.8698165 12 7.4922871 9.0022071 21.0728896 gap-size= 1.510 middle-point= 8.247 charge-density= 20.033 13 10.1444874 9.9527787 21.3881802 14 10.2059767 9.9586488 21.7633906 15 10.2133903 9.9912329 22.1620527 16 12.1735123 11.1127416 23.0787389 17 12.1759993 11.1150947 24.0743020 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5099200 mismatch-density-integration= 0.0326236 mismatch-density-quasiparticle= 1.0728896 Difference in EF= 0.0000200647 EF set to : 8.2472471176 new EF (no-mixing): 8.2472471176 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.268215947649 eV Ratio to renormalize= 0.998371478682891 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 Found EF.dat and EF is 8.24724711763025 sumw= 1000.00000000000 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 29) Finished k-point number 30 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942296632635502 0.908177553170240 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 Weights and bands 5 5.0574505 2.0399756 9.9754859 6 5.0884608 2.5823104 11.8851796 7 5.0895992 4.1669910 13.7611646 8 5.7627731 5.1060177 15.3678721 9 5.9242336 5.3549892 16.8608726 10 6.3498704 5.3549892 18.4036260 11 7.4887080 5.3549892 19.8698604 12 7.4923183 9.0022462 21.0729476 gap-size= 1.510 middle-point= 8.247 charge-density= 20.033 13 10.1444915 9.9527890 21.3882299 14 10.2059765 9.9586588 21.7634282 15 10.2133897 9.9912420 22.1620771 16 12.1734950 11.1127333 23.0787489 17 12.1759829 11.1150863 24.0743005 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5099279 mismatch-density-integration= 0.0326809 mismatch-density-quasiparticle= 1.0729476 Difference in EF= 0.0000351459 EF set to : 8.2472822635 new EF (no-mixing): 8.2472822635 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.268253546091 eV Ratio to renormalize= 0.998368620011289 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 12) Finished k-point number 13 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.24728226353100 1) Finished k-point number 2 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942295607018074 0.908175641288766 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0575237 2.0399049 9.9754879 6 5.0885277 2.5822906 11.8851876 7 5.0896662 4.1670448 13.7611813 8 5.7628546 5.1060927 15.3678839 9 5.9242804 5.3548996 16.8608714 10 6.3499316 5.3548996 18.4036128 11 7.4887054 5.3548996 19.8698403 12 7.4923323 9.0021821 21.0729160 gap-size= 1.510 middle-point= 8.247 charge-density= 20.033 13 10.1445370 9.9528291 21.3882032 14 10.2060261 9.9586992 21.7634089 15 10.2134396 9.9912836 22.1620662 16 12.1735487 11.1127851 23.0787484 17 12.1760392 11.1151384 24.0743044 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5098498 mismatch-density-integration= 0.0326165 mismatch-density-quasiparticle= 1.0729160 Difference in EF= -0.0000250817 EF set to : 8.2472571818 new EF (no-mixing): 8.2472571818 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.268139944878 eV Ratio to renormalize= 0.998371832371124 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.24725718182624 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 32) Finished k-point number 33 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942296301333668 0.908176768668388 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 43) Finished k-point number 44 1 with #bands= 8 Weights and bands 5 5.0574830 2.0399281 9.9754870 6 5.0884858 2.5822894 11.8851840 7 5.0896242 4.1670151 13.7611739 8 5.7628110 5.1060510 15.3678785 9 5.9242467 5.3549269 16.8608722 10 6.3498932 5.3549269 18.4036193 11 7.4887003 5.3549269 19.8698509 12 7.4923031 9.0022125 21.0729331 gap-size= 1.510 middle-point= 8.247 charge-density= 20.033 13 10.1445070 9.9528021 21.3882181 14 10.2059940 9.9586720 21.7634203 15 10.2134074 9.9912558 22.1620735 16 12.1735101 11.1127512 23.0787497 17 12.1759973 11.1151044 24.0743024 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5099094 mismatch-density-integration= 0.0326466 mismatch-density-quasiparticle= 1.0729331 Difference in EF= 0.0000006545 EF set to : 8.2472578363 new EF (no-mixing): 8.2472578363 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.268466751045 eV Ratio to renormalize= 0.998370332339350 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 Found EF.dat and EF is 8.24725783628188 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 20) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942297152079221 0.908178128906085 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 Weights and bands 5 5.0574396 2.0399639 9.9754860 6 5.0884482 2.5822945 11.8851804 7 5.0895865 4.1669839 13.7611665 8 5.7627591 5.1060065 15.3678778 9 5.9242208 5.3549698 16.8608833 10 6.3498558 5.3549698 18.4036420 11 7.4886973 5.3549698 19.8698815 12 7.4923096 9.0022546 21.0729750 gap-size= 1.510 middle-point= 8.247 charge-density= 20.033 13 10.1444965 9.9527967 21.3882544 14 10.2059803 9.9586665 21.7634482 15 10.2133934 9.9912494 22.1620921 16 12.1734789 11.1127316 23.0787569 17 12.1759691 11.1150845 24.0743007 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5099450 mismatch-density-integration= 0.0326955 mismatch-density-quasiparticle= 1.0729750 Difference in EF= 0.0000242229 EF set to : 8.2472820592 new EF (no-mixing): 8.2472820592 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.268665748414 eV Ratio to renormalize= 0.998367890856757 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24728205921484 The pole approximation for the self-energy: 13) Finished k-point number 14 1 with #bands= 9 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 sumw= 1000.00000000000 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: 10) Finished k-point number 11 1 with #bands= 8 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 beta....= 38.6833333300001 n0_om...= 75 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 26) Finished k-point number 27 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 28) Finished k-point number 29 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4165259 G= 0.0270383 C= 0.7734707 s0= 0.0645857 A= 2.7423713 G= 0.1625440 C= 1.0958370 s0= -0.0104864 24) Finished k-point number 25 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942296874791177 0.908177605140162 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0574656 2.0399485 9.9754866 6 5.0884757 2.5822947 11.8851831 7 5.0896140 4.1670039 13.7611720 8 5.7627941 5.1060329 15.3678836 9 5.9242427 5.3549498 16.8608868 10 6.3498793 5.3549498 18.4036438 11 7.4887064 5.3549498 19.8698823 12 7.4923179 9.0022412 21.0729736 gap-size= 1.510 middle-point= 8.247 charge-density= 20.033 13 10.1445217 9.9528211 21.3882534 14 10.2060063 9.9586909 21.7634477 15 10.2134196 9.9912741 22.1620924 16 12.1735032 11.1127575 23.0787588 17 12.1759885 11.1151105 24.0743021 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5099233 mismatch-density-integration= 0.0326774 mismatch-density-quasiparticle= 1.0729736 Difference in EF= -0.0000025321 EF set to : 8.2472795271 new EF (no-mixing): 8.2472795271 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.268548320421 eV Ratio to renormalize= 0.998368796500051 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.24727952707508 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 28) Finished k-point number 29 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 0) Finished k-point number 1 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942296633945435 0.908177209843501 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0561239 2.0402692 9.9757116 6 5.0972354 2.5889227 11.8866864 7 5.1046273 4.1676900 13.7645092 8 5.7614570 5.1081692 15.3785730 9 5.9386067 5.3549364 16.8575912 10 6.3427465 5.3549364 18.3930105 11 7.4946009 5.3549364 19.8475188 12 7.4981550 9.0022290 21.0439998 gap-size= 1.504 middle-point= 8.250 charge-density= 20.042 13 10.0737376 9.8777572 21.3556122 14 10.1359098 9.8836430 21.7502584 15 10.1433434 9.9163102 22.1594805 16 12.1544379 11.0918077 23.0764693 17 12.1569253 11.0941471 24.0734960 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5040740 mismatch-density-integration= 0.0418259 mismatch-density-quasiparticle= 1.0439998 Difference in EF= 0.0029125024 EF set to : 8.2501920295 new EF (no-mixing): 8.2501920295 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.202080271253 eV Ratio to renormalize= 0.997913071451914 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.25019202951549 3) Finished k-point number 4 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 0) Finished k-point number 1 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942296512250290 0.908177081194947 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0565121 2.0402824 9.9757340 6 5.0976098 2.5891282 11.8867983 7 5.1049992 4.1679351 13.7647474 8 5.7621142 5.1091804 15.3792541 9 5.9397217 5.3549314 16.8587118 10 6.3433625 5.3549314 18.3946113 11 7.4960241 5.3549314 19.8494580 12 7.4995677 9.0022210 21.0463074 gap-size= 1.503 middle-point= 8.251 charge-density= 20.042 13 10.0760776 9.8802953 21.3576299 14 10.1381992 9.8861786 21.7518353 15 10.1456301 9.9188319 22.1605829 16 12.1556581 11.0937111 23.0771155 17 12.1581334 11.0960499 24.0735840 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5026533 mismatch-density-integration= 0.0422637 mismatch-density-quasiparticle= 1.0463074 Difference in EF= 0.0007023467 EF set to : 8.2508943762 new EF (no-mixing): 8.2508943762 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.198898902107 eV Ratio to renormalize= 0.997891268742640 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Found EF.dat and EF is 8.25089437624401 sumw= 1000.00000000000 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 21) Finished k-point number 22 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942296533409507 0.908177040910336 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 27) Finished k-point number 28 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0566230 2.0402911 9.9757394 6 5.0977174 2.5891789 11.8868255 7 5.1051062 4.1680122 13.7648053 8 5.7622838 5.1094301 15.3794156 9 5.9399947 5.3549268 16.8589765 10 6.3435232 5.3549268 18.3949887 11 7.4963726 5.3549268 19.8499161 12 7.4999007 9.0022325 21.0468536 gap-size= 1.502 middle-point= 8.251 charge-density= 20.042 13 10.0766432 9.8809100 21.3581080 14 10.1387557 9.8867926 21.7522100 15 10.1461859 9.9194428 22.1608463 16 12.1559547 11.0941734 23.0772702 17 12.1584274 11.0965122 24.0736050 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5023318 mismatch-density-integration= 0.0423628 mismatch-density-quasiparticle= 1.0468536 Difference in EF= 0.0001722576 EF set to : 8.2510666338 new EF (no-mixing): 8.2510666338 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.198013842120 eV Ratio to renormalize= 0.997886338792945 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 5) Finished k-point number 6 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 4) Finished k-point number 5 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 Found EF.dat and EF is 8.25106663384503 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 45) Finished k-point number 46 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942296541985459 0.908177115330791 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0566441 2.0402941 9.9757407 6 5.0977377 2.5891961 11.8868319 7 5.1051263 4.1680254 13.7648189 8 5.7623213 5.1094885 15.3794557 9 5.9400598 5.3549300 16.8590430 10 6.3435583 5.3549300 18.3950841 11 7.4964575 5.3549300 19.8500317 12 7.4999852 9.0022344 21.0469916 gap-size= 1.502 middle-point= 8.251 charge-density= 20.042 13 10.0767816 9.8810599 21.3582286 14 10.1388905 9.8869423 21.7523042 15 10.1463205 9.9195917 22.1609121 16 12.1560257 11.0942852 23.0773085 17 12.1584984 11.0966241 24.0736101 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5022492 mismatch-density-integration= 0.0423910 mismatch-density-quasiparticle= 1.0469916 Difference in EF= 0.0000431986 EF set to : 8.2511098324 new EF (no-mixing): 8.2511098324 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.197823455479 eV Ratio to renormalize= 0.997884934073869 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.25110983242936 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 28) Finished k-point number 29 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942296716937635 0.908177374584418 0) Finished k-point number 1 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 34) Finished k-point number 35 1 with #bands= 8 Weights and bands 5 5.0566374 2.0403028 9.9757408 6 5.0977306 2.5892028 11.8868324 7 5.1051191 4.1680183 13.7648202 8 5.7623183 5.1094947 15.3794652 9 5.9400713 5.3549470 16.8590622 10 6.3435586 5.3549470 18.3951132 11 7.4964769 5.3549470 19.8500678 12 7.5000165 9.0022409 21.0470355 gap-size= 1.502 middle-point= 8.251 charge-density= 20.042 13 10.0768141 9.8810957 21.3582667 14 10.1389207 9.8869781 21.7523335 15 10.1463506 9.9196271 22.1609320 16 12.1560384 11.0943088 23.0773193 17 12.1585149 11.0966475 24.0736110 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5022244 mismatch-density-integration= 0.0424107 mismatch-density-quasiparticle= 1.0470355 Difference in EF= 0.0000189071 EF set to : 8.2511287396 new EF (no-mixing): 8.2511287396 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.197783542066 eV Ratio to renormalize= 0.997883950754490 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 Found EF.dat and EF is 8.25112873957677 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942296304156648 0.908176574487881 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0566701 2.0402717 9.9757417 6 5.0977638 2.5891901 11.8868365 7 5.1051525 4.1680442 13.7648286 8 5.7623487 5.1095250 15.3794724 9 5.9400915 5.3548964 16.8590641 10 6.3435838 5.3548964 18.3951110 11 7.4964843 5.3548964 19.8500626 12 7.5000102 9.0022149 21.0470258 gap-size= 1.502 middle-point= 8.251 charge-density= 20.042 13 10.0768342 9.8811165 21.3582590 14 10.1389451 9.8869991 21.7523284 15 10.1463752 9.9196484 22.1609297 16 12.1560608 11.0943337 23.0773207 17 12.1585390 11.0966724 24.0736128 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5022048 mismatch-density-integration= 0.0423805 mismatch-density-quasiparticle= 1.0470258 Difference in EF= -0.0000161902 EF set to : 8.2511125493 new EF (no-mixing): 8.2511125493 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.197801294241 eV Ratio to renormalize= 0.997885456907938 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.25111254934566 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 44) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942294001287247 0.908172502146269 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0568201 2.0401059 9.9757457 6 5.0979171 2.5891145 11.8868527 7 5.1053065 4.1681630 13.7648626 8 5.7625089 5.1096425 15.3794837 9 5.9401529 5.3546373 16.8590311 10 6.3436886 5.3546373 18.3950385 11 7.4964121 5.3546373 19.8499617 12 7.4999610 9.0020744 21.0468862 gap-size= 1.502 middle-point= 8.251 charge-density= 20.042 13 10.0768606 9.8811241 21.3581410 14 10.1389810 9.8870072 21.7522405 15 10.1464119 9.9196594 22.1608747 16 12.1561290 11.0943879 23.0773021 17 12.1586002 11.0967273 24.0736191 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5021134 mismatch-density-integration= 0.0422181 mismatch-density-quasiparticle= 1.0468862 Difference in EF= -0.0000948820 EF set to : 8.2510176674 new EF (no-mixing): 8.2510176674 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.197967086889 eV Ratio to renormalize= 0.997893542879664 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.25101766736469 1) Finished k-point number 2 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 40) Finished k-point number 41 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942293298955729 0.908171242707981 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0568554 2.0400546 9.9757462 6 5.0979538 2.5890926 11.8868543 7 5.1053435 4.1681927 13.7648657 8 5.7625383 5.1096503 15.3794660 9 5.9401396 5.3545603 16.8589859 10 6.3437030 5.3545603 18.3949660 11 7.4963514 5.3545603 19.8498694 12 7.4999033 9.0020315 21.0467699 gap-size= 1.502 middle-point= 8.251 charge-density= 20.042 13 10.0767948 9.8810482 21.3580405 14 10.1389216 9.8869317 21.7521631 15 10.1463528 9.9195851 22.1608222 16 12.1561141 11.0943473 23.0772757 17 12.1585994 11.0966869 24.0736183 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5021281 mismatch-density-integration= 0.0421534 mismatch-density-quasiparticle= 1.0467699 Difference in EF= -0.0000502566 EF set to : 8.2509674108 new EF (no-mixing): 8.2509674108 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.198089585223 eV Ratio to renormalize= 0.997896763033821 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Found EF.dat and EF is 8.25096741080988 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 7) Finished k-point number 8 1 with #bands= 9 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942291454781418 0.908167923510666 0) Finished k-point number 1 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0569681 2.0399147 9.9757492 6 5.0980694 2.5890241 11.8868662 7 5.1054597 4.1682817 13.7648907 8 5.7626510 5.1097265 15.3794673 9 5.9401702 5.3543448 16.8589466 10 6.3437766 5.3543448 18.3948894 11 7.4962995 5.3543448 19.8497665 12 7.4998204 9.0019129 21.0466324 gap-size= 1.502 middle-point= 8.251 charge-density= 20.042 13 10.0767848 9.8810214 21.3579238 14 10.1389206 9.8869054 21.7520758 15 10.1463525 9.9195612 22.1607668 16 12.1561497 11.0943637 23.0772542 17 12.1586284 11.0967038 24.0736224 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5020924 mismatch-density-integration= 0.0420108 mismatch-density-quasiparticle= 1.0466324 Difference in EF= -0.0001007657 EF set to : 8.2508666451 new EF (no-mixing): 8.2508666451 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.198415841829 eV Ratio to renormalize= 0.997903864179838 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 2) Finished k-point number 3 1 with #bands= 9 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Found EF.dat and EF is 8.25086664511156 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942280892795578 0.908148859392591 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0576568 2.0391486 9.9757673 6 5.0987733 2.5887009 11.8869395 7 5.1061672 4.1688231 13.7650439 8 5.7633772 5.1102609 15.3795106 9 5.9404485 5.3531746 16.8587815 10 6.3442607 5.3531746 18.3945367 11 7.4960264 5.3531746 19.8492791 12 7.4995563 9.0012581 21.0459626 gap-size= 1.502 middle-point= 8.250 charge-density= 20.041 13 10.0768861 9.8810336 21.3573567 14 10.1390664 9.8869205 21.7516522 15 10.1465022 9.9195894 22.1604998 16 12.1564619 11.0945975 23.0771609 17 12.1589372 11.0969401 24.0736504 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5017019 mismatch-density-integration= 0.0412446 mismatch-density-quasiparticle= 1.0459626 Difference in EF= -0.0004594532 EF set to : 8.2504071919 new EF (no-mixing): 8.2504071919 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.199151969548 eV Ratio to renormalize= 0.997942015638647 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Found EF.dat and EF is 8.25040719193989 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 18) Finished k-point number 19 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942230955108732 0.908063404663773 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0605353 2.0360837 9.9758400 6 5.1017205 2.5875929 11.8872264 7 5.1091291 4.1710017 13.7656368 8 5.7664484 5.1126117 15.3796286 9 5.9417904 5.3488732 16.8580084 10 6.3464201 5.3488732 18.3929464 11 7.4952086 5.3488732 19.8470861 12 7.4987493 8.9983597 21.0429569 gap-size= 1.500 middle-point= 8.249 charge-density= 20.038 13 10.0772867 9.8810490 21.3644210 14 10.1396702 9.8869484 21.7497128 15 10.1471224 9.9196756 22.1592434 16 12.1580274 11.0956187 23.0766885 17 12.1605319 11.0979746 24.0737647 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4996104 mismatch-density-integration= 0.0379610 mismatch-density-quasiparticle= 1.0429569 Difference in EF= -0.0018527022 EF set to : 8.2485544897 new EF (no-mixing): 8.2485544897 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.197181521358 eV Ratio to renormalize= 0.998105548002178 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 11) Finished k-point number 12 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 Found EF.dat and EF is 8.24855448970885 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 sumw= 1000.00000000000 2) Finished k-point number 3 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942202402878709 0.908017139583371 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 32) Finished k-point number 33 1 with #bands= 8 Weights and bands 5 5.0619519 2.0352109 9.9758538 6 5.1031829 2.5875734 11.8872562 7 5.1106004 4.1720908 13.7656861 8 5.7678448 5.1134176 15.3791382 9 5.9421689 5.3479844 16.8567985 10 6.3475217 5.3479844 18.3910038 11 7.4945677 5.3479844 19.8446119 12 7.4981389 8.9972341 21.0398279 gap-size= 1.499 middle-point= 8.248 charge-density= 20.036 13 10.0762582 9.8796691 21.3617021 14 10.1387626 9.8855762 21.7476094 15 10.1462249 9.9183436 22.1578064 16 12.1585241 11.0951729 23.0759606 17 12.1610279 11.0975372 24.0737532 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4990951 mismatch-density-integration= 0.0361061 mismatch-density-quasiparticle= 1.0398279 Difference in EF= -0.0008679846 EF set to : 8.2476865051 new EF (no-mixing): 8.2476865051 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.185490126559 eV Ratio to renormalize= 0.998197947245350 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Found EF.dat and EF is 8.24768650508270 6) Finished k-point number 7 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942203612081670 0.908020825912823 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 Weights and bands 5 5.0617558 2.0358542 9.9758352 6 5.1029887 2.5880067 11.8871684 7 5.1104061 4.1719499 13.7654969 8 5.7675770 5.1130660 15.3788101 9 5.9419418 5.3490991 16.8563785 10 6.3474159 5.3490991 18.3904579 11 7.4945534 5.3490991 19.8439762 12 7.4981214 8.9976428 21.0391077 gap-size= 1.500 middle-point= 8.248 charge-density= 20.036 13 10.0755560 9.8789006 21.3514324 14 10.1380548 9.8848078 21.7470946 15 10.1455170 9.9175775 22.1574290 16 12.1582887 11.0945800 23.0757098 17 12.1607871 11.0969444 24.0737055 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4995215 mismatch-density-integration= 0.0362173 mismatch-density-quasiparticle= 1.0391077 Difference in EF= 0.0001956145 EF set to : 8.2478821196 new EF (no-mixing): 8.2478821196 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.178678042730 eV Ratio to renormalize= 0.998192407725780 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 23) Finished k-point number 24 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 Found EF.dat and EF is 8.24788211956137 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942202149840074 0.908018900529834 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0619155 2.0360332 9.9758348 6 5.1031496 2.5882046 11.8871659 7 5.1105670 4.1720814 13.7654905 8 5.7677551 5.1132375 15.3788067 9 5.9421369 5.3493682 16.8563798 10 6.3476130 5.3493682 18.3904613 11 7.4947959 5.3493682 19.8439820 12 7.4983450 8.9977400 21.0391154 gap-size= 1.499 middle-point= 8.248 charge-density= 20.036 13 10.0757467 9.8790902 21.3514378 14 10.1382481 9.8849974 21.7470982 15 10.1457104 9.9177680 22.1574310 16 12.1584970 11.0947629 23.0757106 17 12.1610066 11.0971278 24.0737073 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4993950 mismatch-density-integration= 0.0362037 mismatch-density-quasiparticle= 1.0391154 Difference in EF= 0.0001603553 EF set to : 8.2480424749 new EF (no-mixing): 8.2480424749 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.174759924156 eV Ratio to renormalize= 0.998193086516891 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 8) Finished k-point number 9 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 10) Finished k-point number 11 1 with #bands= 8 Found EF.dat and EF is 8.24804247486999 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942201125969805 0.908017186868150 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0619800 2.0359221 9.9758384 6 5.1032145 2.5881410 11.8871823 7 5.1106322 4.1721253 13.7655255 8 5.7678344 5.1133341 15.3788627 9 5.9422074 5.3491809 16.8564451 10 6.3476647 5.3491809 18.3905421 11 7.4948114 5.3491809 19.8440726 12 7.4983727 8.9976442 21.0392130 gap-size= 1.499 middle-point= 8.248 charge-density= 20.036 13 10.0758850 9.8792361 21.3611513 14 10.1383889 9.8851435 21.7471681 15 10.1458514 9.9179142 22.1574824 16 12.1585734 11.0948893 23.0757483 17 12.1610701 11.0972545 24.0737168 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4992715 mismatch-density-integration= 0.0361571 mismatch-density-quasiparticle= 1.0392130 Difference in EF= -0.0000340333 EF set to : 8.2480084415 new EF (no-mixing): 8.2480084415 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.175469326866 eV Ratio to renormalize= 0.998195409890174 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 15) Finished k-point number 16 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 Found EF.dat and EF is 8.24800844154776 9) Finished k-point number 10 1 with #bands= 8 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 10) Finished k-point number 11 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942201772614668 0.908018805098446 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0617984 2.0358352 9.9758381 6 5.1030311 2.5880364 11.8871820 7 5.1104483 4.1719525 13.7655253 8 5.7676584 5.1132118 15.3788886 9 5.9420951 5.3491023 16.8565000 10 6.3475006 5.3491023 18.3906282 11 7.4947333 5.3491023 19.8441757 12 7.4982944 8.9975437 21.0393362 gap-size= 1.499 middle-point= 8.248 charge-density= 20.036 13 10.0758141 9.8791806 21.3612565 14 10.1383135 9.8850876 21.7472461 15 10.1457755 9.9178568 22.1575310 16 12.1584614 11.0948086 23.0757742 17 12.1609639 11.0971737 24.0737185 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4992493 mismatch-density-integration= 0.0362209 mismatch-density-quasiparticle= 1.0393362 Difference in EF= -0.0000894385 EF set to : 8.2479190030 new EF (no-mixing): 8.2479190030 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.178161322991 eV Ratio to renormalize= 0.998192227417726 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.24791900301582 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942201192753353 0.908017692346320 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0618006 2.0357811 9.9758384 6 5.1030344 2.5880050 11.8871825 7 5.1104519 4.1719478 13.7655259 8 5.7676623 5.1131973 15.3788742 9 5.9420682 5.3490446 16.8564659 10 6.3474925 5.3490446 18.3905740 11 7.4946652 5.3490446 19.8441069 12 7.4982489 8.9974846 21.0392496 gap-size= 1.499 middle-point= 8.248 charge-density= 20.036 13 10.0757471 9.8791045 21.3611813 14 10.1382498 9.8850118 21.7471878 15 10.1457123 9.9177820 22.1574910 16 12.1584353 11.0947589 23.0757538 17 12.1609449 11.0971240 24.0737179 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4992357 mismatch-density-integration= 0.0361758 mismatch-density-quasiparticle= 1.0392496 Difference in EF= -0.0000522494 EF set to : 8.2478667536 new EF (no-mixing): 8.2478667536 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.178532742232 eV Ratio to renormalize= 0.998194477022715 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 10) Finished k-point number 11 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 7) Finished k-point number 8 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24786675356712 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 33) Finished k-point number 34 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.3009606 G= 0.0284598 C= 0.7691929 s0= 0.0647261 A= 2.7082619 G= 0.1319373 C= 1.0171765 s0= -0.0103164 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942201519327126 0.908018137629779 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0617379 2.0357326 9.9758382 6 5.1029715 2.5879518 11.8871819 7 5.1103889 4.1718880 13.7655246 8 5.7676004 5.1131329 15.3788743 9 5.9420059 5.3489978 16.8564692 10 6.3474297 5.3489978 18.3905802 11 7.4946274 5.3489978 19.8441161 12 7.4981744 8.9974400 21.0392629 gap-size= 1.499 middle-point= 8.248 charge-density= 20.036 13 10.0756943 9.8790509 21.3611930 14 10.1381937 9.8849580 21.7471973 15 10.1456560 9.9177280 22.1574979 16 12.1583713 11.0947002 23.0757570 17 12.1608768 11.0970654 24.0737176 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.4992655 mismatch-density-integration= 0.0361815 mismatch-density-quasiparticle= 1.0392629 Difference in EF= -0.0000595536 EF set to : 8.2478072000 new EF (no-mixing): 8.2478072000 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.179783623385 eV Ratio to renormalize= 0.998194190736111 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 4) Finished k-point number 5 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 2) Finished k-point number 3 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 19) Finished k-point number 20 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 39) Finished k-point number 40 1 with #bands= 8 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 44) Finished k-point number 45 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 31) Finished k-point number 32 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 Found EF.dat and EF is 8.24780719997841 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 sumw= 1000.00000000000 45) Finished k-point number 46 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 23) Finished k-point number 24 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942201557852510 0.908018212866695 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0756470 2.0372286 9.9757312 6 5.0917589 2.5820375 11.8857240 7 5.0929112 4.1847264 13.7620214 8 5.7755801 5.1175273 15.3588942 9 5.9262296 5.3490033 16.8407994 10 6.3543866 5.3490033 18.3654303 11 7.4828498 5.3490033 19.8160643 12 7.4864528 8.9974448 21.0132076 gap-size= 1.511 middle-point= 8.242 charge-density= 20.025 13 9.9306144 9.7306123 21.3262487 14 9.9921984 9.7363581 21.7220779 15 9.9994821 9.7682278 22.1430461 16 12.1743959 11.1111667 23.0765212 17 12.1769021 11.1135467 24.0742709 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5109919 mismatch-density-integration= 0.0245869 mismatch-density-quasiparticle= 1.0132076 Difference in EF= -0.0058583983 EF set to : 8.2419488017 new EF (no-mixing): 8.2419488017 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.266970190051 eV Ratio to renormalize= 0.998772161960533 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.24194880168424 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942203315130554 0.908021103895626 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 27) Finished k-point number 28 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0748172 2.0373454 9.9756831 6 5.0896716 2.5816878 11.8854852 7 5.0908247 4.1842233 13.7615139 8 5.7741888 5.1154199 15.3574271 9 5.9239770 5.3491687 16.8385029 10 6.3530769 5.3491687 18.3621195 11 7.4800264 5.3491687 19.8120410 12 7.4836302 8.9976100 21.0084591 gap-size= 1.514 middle-point= 8.241 charge-density= 20.024 13 9.9259391 9.7255122 21.3219463 14 9.9876135 9.7312628 21.7187212 15 9.9949022 9.7631589 22.1406738 16 12.1719163 11.1073268 23.0752289 17 12.1744247 11.1097075 24.0740868 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5139799 mismatch-density-integration= 0.0237883 mismatch-density-quasiparticle= 1.0084591 Difference in EF= -0.0013287102 EF set to : 8.2406200914 new EF (no-mixing): 8.2406200914 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.272558000308 eV Ratio to renormalize= 0.998811997378015 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Found EF.dat and EF is 8.24062009143798 3) Finished k-point number 4 1 with #bands= 9 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 40) Finished k-point number 41 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942200552964915 0.908016437457663 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0747734 2.0372008 9.9756762 6 5.0893304 2.5815616 11.8854463 7 5.0904841 4.1842035 13.7614296 8 5.7740422 5.1150748 15.3571005 9 5.9235526 5.3490173 16.8379471 10 6.3529025 5.3490173 18.3612899 11 7.4793722 5.3490173 19.8110195 12 7.4829828 8.9974524 21.0072317 gap-size= 1.514 middle-point= 8.240 charge-density= 20.023 13 9.9249248 9.7243762 21.3208488 14 9.9866266 9.7301285 21.7178696 15 9.9939174 9.7620339 22.1400812 16 12.1714634 11.1065267 23.0749138 17 12.1739731 11.1089083 24.0740525 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5144696 mismatch-density-integration= 0.0234284 mismatch-density-quasiparticle= 1.0072317 Difference in EF= -0.0004025298 EF set to : 8.2402175616 new EF (no-mixing): 8.2402175616 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.273545405727 eV Ratio to renormalize= 0.998829949224992 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 8) Finished k-point number 9 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24021756163976 sumw= 1000.00000000000 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942200313281082 0.908016108614371 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 17) Finished k-point number 18 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 32) Finished k-point number 33 1 with #bands= 8 Weights and bands 5 5.0747284 2.0371856 9.9756733 6 5.0891987 2.5815286 11.8854318 7 5.0903526 4.1841756 13.7613986 8 5.7739594 5.1149418 15.3570014 9 5.9234042 5.3490015 16.8377873 10 6.3528216 5.3490015 18.3610563 11 7.4791780 5.3490015 19.8107342 12 7.4827803 8.9974388 21.0068926 gap-size= 1.515 middle-point= 8.240 charge-density= 20.023 13 9.9246033 9.7240275 21.3205430 14 9.9863164 9.7297802 21.7176316 15 9.9936076 9.7616878 22.1399139 16 12.1713018 11.1062693 23.0748236 17 12.1738244 11.1086512 24.0740409 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5146585 mismatch-density-integration= 0.0233534 mismatch-density-quasiparticle= 1.0068926 Difference in EF= -0.0001080451 EF set to : 8.2401095165 new EF (no-mixing): 8.2401095165 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.274005834642 eV Ratio to renormalize= 0.998833691166131 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 Found EF.dat and EF is 8.24010951653340 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942200342096144 0.908016096930525 0) Finished k-point number 1 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0747109 2.0371809 9.9756726 6 5.0891600 2.5815161 11.8854279 7 5.0903138 4.1841637 13.7613904 8 5.7739275 5.1149027 15.3569760 9 5.9233609 5.3489938 16.8377467 10 6.3527944 5.3489938 18.3609973 11 7.4791339 5.3489938 19.8106622 12 7.4827143 8.9974349 21.0068071 gap-size= 1.515 middle-point= 8.240 charge-density= 20.023 13 9.9245171 9.7239332 21.3204656 14 9.9862314 9.7296860 21.7175712 15 9.9935227 9.7615940 22.1398713 16 12.1712548 11.1061984 23.0748007 17 12.1737707 11.1085802 24.0740378 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5147205 mismatch-density-integration= 0.0233337 mismatch-density-quasiparticle= 1.0068071 Difference in EF= -0.0000349078 EF set to : 8.2400746087 new EF (no-mixing): 8.2400746087 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.274236675019 eV Ratio to renormalize= 0.998834672134444 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 12) Finished k-point number 13 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 Found EF.dat and EF is 8.24007460868400 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 40) Finished k-point number 41 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 41) Finished k-point number 42 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942200490277462 0.908016446730435 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0746909 2.0371836 9.9756721 6 5.0891364 2.5815110 11.8854260 7 5.0902902 4.1841485 13.7613865 8 5.7739058 5.1148790 15.3569692 9 5.9233383 5.3489949 16.8377384 10 6.3527729 5.3489949 18.3609868 11 7.4791060 5.3489949 19.8106498 12 7.4826969 8.9974390 21.0067934 gap-size= 1.515 middle-point= 8.240 charge-density= 20.023 13 9.9244854 9.7239006 21.3204523 14 9.9861993 9.7296534 21.7175604 15 9.9934906 9.7615614 22.1398629 16 12.1712296 11.1061696 23.0747959 17 12.1737398 11.1085515 24.0740366 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5147421 mismatch-density-integration= 0.0233410 mismatch-density-quasiparticle= 1.0067934 Difference in EF= -0.0000066514 EF set to : 8.2400679573 new EF (no-mixing): 8.2400679573 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.274429284405 eV Ratio to renormalize= 0.998834308108382 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24006795731636 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942200843260268 0.908016932212586 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0746724 2.0371999 9.9756716 6 5.0891187 2.5815133 11.8854239 7 5.0902725 4.1841337 13.7613819 8 5.7738897 5.1148612 15.3569662 9 5.9233268 5.3490238 16.8377392 10 6.3527588 5.3490238 18.3609912 11 7.4791004 5.3490238 19.8106567 12 7.4827053 8.9974540 21.0068041 gap-size= 1.515 middle-point= 8.240 charge-density= 20.023 13 9.9244792 9.7238923 21.3204605 14 9.9861882 9.7296450 21.7175663 15 9.9934794 9.7615527 22.1398660 16 12.1712167 11.1061571 23.0747966 17 12.1737249 11.1085388 24.0740356 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5147487 mismatch-density-integration= 0.0233610 mismatch-density-quasiparticle= 1.0068041 Difference in EF= 0.0000116512 EF set to : 8.2400796085 new EF (no-mixing): 8.2400796085 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.274452834051 eV Ratio to renormalize= 0.998833311774178 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 9) Finished k-point number 10 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 12) Finished k-point number 13 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 35) Finished k-point number 36 1 with #bands= 8 Found EF.dat and EF is 8.24007960849301 32) Finished k-point number 33 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 sumw= 1000.00000000000 34) Finished k-point number 35 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 33) Finished k-point number 34 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 36) Finished k-point number 37 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942200140310812 0.908015674018205 0) Finished k-point number 1 1 with #bands= 9 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0747159 2.0371678 9.9756726 6 5.0891549 2.5815116 11.8854275 7 5.0903088 4.1841652 13.7613893 8 5.7739314 5.1148976 15.3569680 9 5.9233540 5.3489883 16.8377320 10 6.3527974 5.3489883 18.3609744 11 7.4791130 5.3489883 19.8106341 12 7.4827104 8.9974180 21.0067734 gap-size= 1.515 middle-point= 8.240 charge-density= 20.023 13 9.9244963 9.7239084 21.3204363 14 9.9862117 9.7296613 21.7175490 15 9.9935032 9.7615698 22.1398567 16 12.1712489 11.1061818 23.0747930 17 12.1737636 11.1085636 24.0740374 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5147077 mismatch-density-integration= 0.0233202 mismatch-density-quasiparticle= 1.0067734 Difference in EF= -0.0000154031 EF set to : 8.2400642054 new EF (no-mixing): 8.2400642054 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.274237588645 eV Ratio to renormalize= 0.998835350091906 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 Found EF.dat and EF is 8.24006420536192 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 sumw= 1000.00000000000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 4) Finished k-point number 5 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 25) Finished k-point number 26 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 3) Finished k-point number 4 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 35) Finished k-point number 36 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 13) Finished k-point number 14 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942196724931304 0.908008334832425 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 25) Finished k-point number 26 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0746990 2.0367381 9.9756782 6 5.0890910 2.5812274 11.8854504 7 5.0902454 4.1840634 13.7614356 8 5.7739638 5.1148356 15.3570106 9 5.9232775 5.3486010 16.8377618 10 6.3527891 5.3486010 18.3609863 11 7.4789995 5.3486010 19.8106493 12 7.4825847 8.9969363 21.0067843 gap-size= 1.514 middle-point= 8.240 charge-density= 20.023 13 9.9244959 9.7238905 21.3204676 14 9.9862185 9.7296441 21.7175876 15 9.9935109 9.7615561 22.1399067 16 12.1712061 11.1061393 23.0748248 17 12.1737199 11.1085222 24.0740519 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5143515 mismatch-density-integration= 0.0231461 mismatch-density-quasiparticle= 1.0067843 Difference in EF= -0.0003037057 EF set to : 8.2397604997 new EF (no-mixing): 8.2397604997 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.278162754801 eV Ratio to renormalize= 0.998844031472351 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Found EF.dat and EF is 8.23976049969399 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 7) Finished k-point number 8 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 4) Finished k-point number 5 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 27) Finished k-point number 28 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942211620393816 0.908028285584998 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 37) Finished k-point number 38 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0730431 2.0363365 9.9756655 6 5.0874956 2.5803339 11.8854062 7 5.0886477 4.1825380 13.7613464 8 5.7722950 5.1132406 15.3571408 9 5.9219984 5.3484771 16.8382120 10 6.3513527 5.3484771 18.3617671 11 7.4783556 5.3484771 19.8116969 12 7.4819718 8.9965270 21.0081632 gap-size= 1.515 middle-point= 8.239 charge-density= 20.024 13 9.9238463 9.7233872 21.3216618 14 9.9855128 9.7291373 21.7185186 15 9.9928007 9.7610326 22.1405514 16 12.1698619 11.1051445 23.0751341 17 12.1723725 11.1075232 24.0740440 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5145552 mismatch-density-integration= 0.0240763 mismatch-density-quasiparticle= 1.0081632 Difference in EF= -0.0005111239 EF set to : 8.2392493758 new EF (no-mixing): 8.2392493758 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.301002410277 eV Ratio to renormalize= 0.998797633257904 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Found EF.dat and EF is 8.23924937579927 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 7) Finished k-point number 8 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942300390292681 0.908175676104929 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 26) Finished k-point number 27 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0678760 2.0400873 9.9755561 6 5.0828981 2.5807480 11.8849870 7 5.0840377 4.1787232 13.7605004 8 5.7666495 5.1086253 15.3570663 9 5.9187329 5.3529155 16.8394065 10 6.3469108 5.3529155 18.3642895 11 7.4779417 5.3529155 19.8151341 12 7.4815406 9.0007815 21.0128310 gap-size= 1.519 middle-point= 8.241 charge-density= 20.029 13 9.9220220 9.7222126 21.3254666 14 9.9833812 9.7279436 21.7213443 15 9.9906434 9.7597442 22.1422737 16 12.1660115 11.1024612 23.0758683 17 12.1685041 11.1048152 24.0738534 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5192409 mismatch-density-integration= 0.0292057 mismatch-density-quasiparticle= 1.0128310 Difference in EF= 0.0019117125 EF set to : 8.2411610883 new EF (no-mixing): 8.2411610883 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.328745614954 eV Ratio to renormalize= 0.998541841883582 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 3) Finished k-point number 4 1 with #bands= 9 Found EF.dat and EF is 8.24116108828996 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 sumw= 1000.00000000000 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 40) Finished k-point number 41 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 41) Finished k-point number 42 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 25) Finished k-point number 26 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942339765832972 0.908241118011908 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0659045 2.0419865 9.9755201 6 5.0816155 2.5812901 11.8848617 7 5.0827492 4.1772320 13.7602590 8 5.7646565 5.1073419 15.3574982 9 5.9181708 5.3553259 16.8407150 10 6.3454967 5.3553259 18.3665488 11 7.4789907 5.3553259 19.8180607 12 7.4825680 9.0028033 21.0165766 gap-size= 1.520 middle-point= 8.243 charge-density= 20.032 13 9.9229298 9.7235566 21.3286639 14 9.9841160 9.7292771 21.7237733 15 9.9913646 9.7610262 22.1438645 16 12.1652849 11.1026729 23.0766342 17 12.1677634 11.1050158 24.0738257 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5202353 mismatch-density-integration= 0.0318556 mismatch-density-quasiparticle= 1.0165766 Difference in EF= 0.0015245569 EF set to : 8.2426856452 new EF (no-mixing): 8.2426856452 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.335139549534 eV Ratio to renormalize= 0.998409754483317 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Found EF.dat and EF is 8.24268564519930 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 7) Finished k-point number 8 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 2) Finished k-point number 3 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 4) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 19) Finished k-point number 20 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942337910014265 0.908237943940014 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0662430 2.0419456 9.9755339 6 5.0822568 2.5814221 11.8849290 7 5.0833905 4.1774641 13.7603987 8 5.7651471 5.1079886 15.3578631 9 5.9188351 5.3552826 16.8412686 10 6.3459475 5.3552826 18.3673332 11 7.4797676 5.3552826 19.8190093 12 7.4833273 9.0027390 21.0176878 gap-size= 1.519 middle-point= 8.243 charge-density= 20.032 13 9.9241815 9.7249022 21.3296798 14 9.9853490 9.7306217 21.7245692 15 9.9925968 9.7623659 22.1444333 16 12.1660205 11.1037258 23.0769456 17 12.1684917 11.1060690 24.0738744 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5194116 mismatch-density-integration= 0.0319704 mismatch-density-quasiparticle= 1.0176878 Difference in EF= 0.0003475151 EF set to : 8.2430331603 new EF (no-mixing): 8.2430331603 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.332296553572 eV Ratio to renormalize= 0.998404032286954 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 26) Finished k-point number 27 1 with #bands= 8 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 25) Finished k-point number 26 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 27) Finished k-point number 28 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24303316033471 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942307340822347 0.908186680534538 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 41) Finished k-point number 42 1 with #bands= 8 Weights and bands 5 5.0684953 2.0411036 9.9755696 6 5.0842537 2.5817991 11.8850631 7 5.0853919 4.1792400 13.7606602 8 5.7675420 5.1099907 15.3578043 9 5.9203632 5.3543384 16.8407176 10 6.3479364 5.3543384 18.3662636 11 7.4802779 5.3543384 19.8175766 12 7.4838709 9.0017271 21.0157816 gap-size= 1.518 middle-point= 8.243 charge-density= 20.030 13 9.9250535 9.7255219 21.3281000 14 9.9863313 9.7312484 21.7233845 15 9.9935883 9.7630279 22.1436893 16 12.1677498 11.1049480 23.0766099 17 12.1702346 11.1073001 24.0739301 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5178561 mismatch-density-integration= 0.0301326 mismatch-density-quasiparticle= 1.0157816 Difference in EF= -0.0002341690 EF set to : 8.2427989914 new EF (no-mixing): 8.2427989914 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.313164474440 eV Ratio to renormalize= 0.998495634812541 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 23) Finished k-point number 24 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 12) Finished k-point number 13 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 27) Finished k-point number 28 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 13) Finished k-point number 14 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 25) Finished k-point number 26 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Found EF.dat and EF is 8.24279899138446 sumw= 1000.00000000000 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942331458741514 0.908227117590103 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 16) Finished k-point number 17 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 42) Finished k-point number 43 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 34) Finished k-point number 35 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Weights and bands 5 5.0671237 2.0422898 9.9755367 6 5.0830096 2.5820433 11.8849322 7 5.0841445 4.1782442 13.7603972 8 5.7660244 5.1087412 15.3577209 9 5.9195031 5.3557963 16.8409624 10 6.3467757 5.3557963 18.3668408 11 7.4802378 5.3557963 19.8183834 12 7.4838008 9.0030119 21.0169052 gap-size= 1.519 middle-point= 8.243 charge-density= 20.032 13 9.9244947 9.7251271 21.3289977 14 9.9856905 9.7308485 21.7240436 15 9.9929406 9.7626028 22.1440764 16 12.1667315 11.1041788 23.0767625 17 12.1692108 11.1065242 24.0738700 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5192111 mismatch-density-integration= 0.0315338 mismatch-density-quasiparticle= 1.0169052 Difference in EF= 0.0006073248 EF set to : 8.2434063162 new EF (no-mixing): 8.2434063162 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.318159129364 eV Ratio to renormalize= 0.998425793358328 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 8) Finished k-point number 9 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24340631615481 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 7) Finished k-point number 8 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 42) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942336019621774 0.908234329124452 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 36) Finished k-point number 37 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0670670 2.0425522 9.9755360 6 5.0830798 2.5821895 11.8849348 7 5.0842139 4.1782267 13.7604054 8 5.7659867 5.1088122 15.3578489 9 5.9196466 5.3560690 16.8412255 10 6.3467857 5.3560690 18.3672562 11 7.4805534 5.3560690 19.8189083 12 7.4841286 9.0033238 21.0175563 gap-size= 1.519 middle-point= 8.244 charge-density= 20.032 13 9.9249348 9.7256366 21.3295687 14 9.9861078 9.7313566 21.7244841 15 9.9933562 9.7631041 22.1443771 16 12.1668639 11.1045002 23.0769166 17 12.1693320 11.1068443 24.0738771 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5191953 mismatch-density-integration= 0.0318540 mismatch-density-quasiparticle= 1.0175563 Difference in EF= 0.0003198778 EF set to : 8.2437261940 new EF (no-mixing): 8.2437261940 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.317155606553 eV Ratio to renormalize= 0.998409832137649 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: 7) Finished k-point number 8 1 with #bands= 9 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 3) Finished k-point number 4 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 28) Finished k-point number 29 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24372619397351 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 19) Finished k-point number 20 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 37) Finished k-point number 38 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942334392207721 0.908231278128762 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 1) Finished k-point number 2 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 44) Finished k-point number 45 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 20) Finished k-point number 21 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0673568 2.0425609 9.9755408 6 5.0833796 2.5822921 11.8849558 7 5.0845139 4.1784834 13.7604491 8 5.7662993 5.1091127 15.3579027 9 5.9199064 5.3559992 16.8412728 10 6.3470519 5.3559992 18.3673024 11 7.4807344 5.3559992 19.8189562 12 7.4843179 9.0033651 21.0175990 gap-size= 1.519 middle-point= 8.244 charge-density= 20.032 13 9.9252508 9.7259514 21.3296192 14 9.9864283 9.7316717 21.7245288 15 9.9936772 9.7634204 22.1444179 16 12.1671348 11.1048091 23.0769449 17 12.1696154 11.1071535 24.0738877 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5190472 mismatch-density-integration= 0.0317559 mismatch-density-quasiparticle= 1.0175990 Difference in EF= 0.0001152768 EF set to : 8.2438414708 new EF (no-mixing): 8.2438414708 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.314322400219 eV Ratio to renormalize= 0.998414721218169 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 6) Finished k-point number 7 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 7) Finished k-point number 8 1 with #bands= 9 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 5) Finished k-point number 6 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 21) Finished k-point number 22 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 23) Finished k-point number 24 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 30) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 27) Finished k-point number 28 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24384147075656 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 0) Finished k-point number 1 1 with #bands= 9 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942334464859720 0.908231274333298 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 14) Finished k-point number 15 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 18) Finished k-point number 19 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 23) Finished k-point number 24 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0674103 2.0426086 9.9755412 6 5.0834450 2.5823389 11.8849583 7 5.0845792 4.1785337 13.7604545 8 5.7663587 5.1091784 15.3579194 9 5.9199758 5.3560461 16.8413004 10 6.3471117 5.3560461 18.3673426 11 7.4808251 5.3560461 19.8190059 12 7.4843869 9.0034142 21.0176586 gap-size= 1.519 middle-point= 8.244 charge-density= 20.032 13 9.9253506 9.7260574 21.3296732 14 9.9865279 9.7317777 21.7245712 15 9.9937767 9.7635260 22.1444482 16 12.1672066 11.1048978 23.0769611 17 12.1696924 11.1072420 24.0738897 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5190274 mismatch-density-integration= 0.0317665 mismatch-density-quasiparticle= 1.0176586 Difference in EF= 0.0000590742 EF set to : 8.2439005450 new EF (no-mixing): 8.2439005450 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 Sum of eigenvalues= -236.313354920234 eV Ratio to renormalize= 0.998414195278797 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 15) Finished k-point number 16 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 14) Finished k-point number 15 1 with #bands= 9 3) Finished k-point number 4 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 Found EF.dat and EF is 8.24390054496951 sumw= 1000.00000000000 2) Finished k-point number 3 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 4) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 26) Finished k-point number 27 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 32) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942334418921102 0.908231301400308 0) Finished k-point number 1 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 21) Finished k-point number 22 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 24) Finished k-point number 25 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 5) Finished k-point number 6 1 with #bands= 9 4) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 28) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 13) Finished k-point number 14 1 with #bands= 9 34) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 8) Finished k-point number 9 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0674240 2.0426323 9.9755414 6 5.0834699 2.5823598 11.8849592 7 5.0846041 4.1785456 13.7604564 8 5.7663769 5.1092034 15.3579294 9 5.9200058 5.3560747 16.8413185 10 6.3471330 5.3560747 18.3673700 11 7.4808718 5.3560747 19.8190396 12 7.4844229 9.0034319 21.0176991 gap-size= 1.519 middle-point= 8.244 charge-density= 20.032 13 9.9254006 9.7261097 21.3297092 14 9.9865755 9.7318299 21.7245990 15 9.9938243 9.7635780 22.1444673 16 12.1672393 11.1049387 23.0769711 17 12.1697165 11.1072829 24.0738908 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5190089 mismatch-density-integration= 0.0317776 mismatch-density-quasiparticle= 1.0176991 Difference in EF= 0.0000268731 EF set to : 8.2439274181 new EF (no-mixing): 8.2439274181 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.312940726064 eV Ratio to renormalize= 0.998413639373919 nargs= 1 argi=dmft2.def The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 Emin,Emax= -0.1538465082 0.9486332554 imatsubara= 1 gammac= 0.05000 gamma= 0.05000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 1) Finished k-point number 2 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 8) Finished k-point number 9 1 with #bands= 9 9) Finished k-point number 10 1 with #bands= 8 The pole approximation for the self-energy: The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 3) Finished k-point number 4 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 2) Finished k-point number 3 1 with #bands= 9 10) Finished k-point number 11 1 with #bands= 8 11) Finished k-point number 12 1 with #bands= 8 Found EF.dat and EF is 8.24392741807086 sumw= 1000.00000000000 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 beta....= 38.6833333300001 n0_om...= 75 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 5) Finished k-point number 6 1 with #bands= 9 6) Finished k-point number 7 1 with #bands= 9 7) Finished k-point number 8 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 4) Finished k-point number 5 1 with #bands= 9 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 13) Finished k-point number 14 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 12) Finished k-point number 13 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 22) Finished k-point number 23 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 20) Finished k-point number 21 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 28) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 30 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 26) Finished k-point number 27 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 21) Finished k-point number 22 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 31) Finished k-point number 32 1 with #bands= 9 30) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 16 1 with #bands= 9 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 36 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 46) Finished k-point number 47 1 with #bands= 8 45) Finished k-point number 46 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 44) Finished k-point number 45 1 with #bands= 8 The pole approximation for the self-energy: A= 8.4142688 G= 0.0267261 C= 0.7670179 s0= 0.0646118 A= 2.5494554 G= 0.0839889 C= 0.8836665 s0= -0.0104631 27) Finished k-point number 28 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 39) Finished k-point number 40 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.942333973094999 0.908230691967779 30) Finished k-point number 31 1 with #bands= 8 2) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 2 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 22) Finished k-point number 23 1 with #bands= 8 27) Finished k-point number 28 1 with #bands= 8 26) Finished k-point number 27 1 with #bands= 8 6) Finished k-point number 7 1 with #bands= 9 21) Finished k-point number 22 1 with #bands= 8 12) Finished k-point number 13 1 with #bands= 8 5) Finished k-point number 6 1 with #bands= 9 39) Finished k-point number 40 1 with #bands= 8 4) Finished k-point number 5 1 with #bands= 9 15) Finished k-point number 16 1 with #bands= 9 14) Finished k-point number 15 1 with #bands= 9 29) Finished k-point number 30 1 with #bands= 8 44) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 21 1 with #bands= 8 28) Finished k-point number 29 1 with #bands= 8 46) Finished k-point number 47 1 with #bands= 8 38) Finished k-point number 39 1 with #bands= 8 23) Finished k-point number 24 1 with #bands= 8 36) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 32 1 with #bands= 9 45) Finished k-point number 46 1 with #bands= 8 37) Finished k-point number 38 1 with #bands= 8 7) Finished k-point number 8 1 with #bands= 9 13) Finished k-point number 14 1 with #bands= 9 11) Finished k-point number 12 1 with #bands= 8 10) Finished k-point number 11 1 with #bands= 8 9) Finished k-point number 10 1 with #bands= 8 8) Finished k-point number 9 1 with #bands= 9 35) Finished k-point number 36 1 with #bands= 8 40) Finished k-point number 41 1 with #bands= 8 42) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 20 1 with #bands= 8 24) Finished k-point number 25 1 with #bands= 8 18) Finished k-point number 19 1 with #bands= 8 16) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 26 1 with #bands= 8 43) Finished k-point number 44 1 with #bands= 8 17) Finished k-point number 18 1 with #bands= 8 41) Finished k-point number 42 1 with #bands= 8 33) Finished k-point number 34 1 with #bands= 8 32) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 35 1 with #bands= 8 3) Finished k-point number 4 1 with #bands= 9 Data-size pr_processor[MBy]= 4.5455933E-02 Total datasize is[MBy]= 2.909180 max_nbands= 9 nomega= 331 pr_proc= 1 nprocs= 64 Weights and bands 5 5.0674493 2.0426186 9.9755420 6 5.0834987 2.5823625 11.8849618 7 5.0846330 4.1785640 13.7604618 8 5.7664008 5.1092325 15.3579357 9 5.9200299 5.3560579 16.8413230 10 6.3471574 5.3560579 18.3673731 11 7.4808808 5.3560579 19.8190417 12 7.4844429 9.0034146 21.0176988 gap-size= 1.519 middle-point= 8.244 charge-density= 20.032 13 9.9254251 9.7261361 21.3297107 14 9.9866038 9.7318564 21.7246006 15 9.9938526 9.7636048 22.1444695 16 12.1672669 11.1049665 23.0769730 17 12.1697407 11.1073110 24.0738923 Found a quasiparticle-gap. EF is placed in the middle of this gap! Estimated-gap-size= 1.5189717 mismatch-density-integration= 0.0317613 mismatch-density-quasiparticle= 1.0176988 Difference in EF= 0.0000013628 EF set to : 8.2439287808 new EF (no-mixing): 8.2439287808 mpr_proc= 1 myrank= 0 nprocs= 64 nkpt= 48 30) Finished k-point 31 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 27) Finished k-point 28 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 22) Finished k-point 23 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 26) Finished k-point 27 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 0) Finished k-point 1 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 21) Finished k-point 22 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 11) Finished k-point 12 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 35) Finished k-point 36 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 40) Finished k-point 41 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 10) Finished k-point 11 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 12) Finished k-point 13 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 19) Finished k-point 20 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 39) Finished k-point 40 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 29) Finished k-point 30 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 44) Finished k-point 45 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 38) Finished k-point 39 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 23) Finished k-point 24 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 28) Finished k-point 29 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 46) Finished k-point 47 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 20) Finished k-point 21 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 36) Finished k-point 37 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 6) Finished k-point 7 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 5) Finished k-point 6 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 12 45) Finished k-point 46 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 37) Finished k-point 38 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 15) Finished k-point 16 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 3) Finished k-point 4 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 2) Finished k-point 3 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 1) Finished k-point 2 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 7) Finished k-point 8 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 9) Finished k-point 10 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 8) Finished k-point 9 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 4) Finished k-point 5 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 24) Finished k-point 25 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 14) Finished k-point 15 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 31) Finished k-point 32 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 25) Finished k-point 26 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 43) Finished k-point 44 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 13) Finished k-point 14 1 with nemin= 1 nemax= 13 DM_nemin= 5 DM_nemax= 13 DM_nemaxx 13 42) Finished k-point 43 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 41) Finished k-point 42 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 18) Finished k-point 19 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 17) Finished k-point 18 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 16) Finished k-point 17 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 33) Finished k-point 34 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 34) Finished k-point 35 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 32) Finished k-point 33 1 with nemin= 1 nemax= 12 DM_nemin= 5 DM_nemax= 12 DM_nemaxx 12 Sum of eigenvalues= -236.312747663357 eV Ratio to renormalize= 0.998414451993943