nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 28 10) Finished k-point number 11 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 9) Finished k-point number 10 1 with #bands= 28 11) Finished k-point number 12 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 32 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 sumw= 1728.00000000000 14) Finished k-point number 15 1 with #bands= 26 beta....= 99.9999999999998 n0_om...= 201 22) Finished k-point number 23 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 20) Finished k-point number 21 1 with #bands= 28 48) Finished k-point number 49 1 with #bands= 28 18) Finished k-point number 19 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 54) Finished k-point number 55 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 28 62) Finished k-point number 63 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 28 26) Finished k-point number 27 1 with #bands= 28 30) Finished k-point number 31 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 26 38) Finished k-point number 39 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 28 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 37) Finished k-point number 38 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.978447857786033 0.975886254494575 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 28 15) Finished k-point number 16 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 8) Finished k-point number 9 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 28 18) Finished k-point number 19 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 26 62) Finished k-point number 63 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 28 68) Finished k-point number 69 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 28 30) Finished k-point number 31 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 29) Finished k-point number 30 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 28 47) Finished k-point number 48 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 28 44) Finished k-point number 45 1 with #bands= 28 49) Finished k-point number 50 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 28 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 13.4882748086000 Density= 21.3959858282812 EF 13.2161609764864 Density= 21.0469715398373 EF 12.9440471443728 Density= 20.6079851702395 EF 12.6719333122593 Density= 19.9888669935123 EF 12.3998194801457 Density= 19.1942121493071 EF 12.1277056480321 Density= 18.4992975024222 Brent's Method Step XA XB F(XA) F(XB) 0 0.91137000 0.89137000 0.194212 -0.500702 1 0.90578048 0.91137000 -0.165941E-01 0.194212 2 0.90622047 0.91137000 -0.495391E-03 0.194212 3 0.90623398 0.90622047 0.126123E-06 -0.495391E-03 4 0.90623397 0.90623398 -0.104805E-10 0.126123E-06 Absolute convergence of |F(X)|. Difference in EF too large to mix -1.15833457513552 cutoff= 2.9999999E-02 Difference in EF= -1.1583345751 EF set to : 12.3299402335 new EF (no-mixing): 12.3299402335 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 3 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 11 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 47) Finished k-point 48 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 54) Finished k-point 55 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 56) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 27) Finished k-point 28 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 49) Finished k-point 50 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 43) Finished k-point 44 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 Sum of eigenvalues= -2.67813117669930 eV Ratio to renormalize= 1.00000000042629 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 28 10) Finished k-point number 11 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 28 4) Finished k-point number 5 1 with #bands= 26 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 7) Finished k-point number 8 1 with #bands= 32 Found EF.dat and EF is 12.3299402334645 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 sumw= 1728.00000000000 13) Finished k-point number 14 1 with #bands= 24 beta....= 99.9999999999998 n0_om...= 201 8) Finished k-point number 9 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 28 15) Finished k-point number 16 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 30) Finished k-point number 31 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 26) Finished k-point number 27 1 with #bands= 28 49) Finished k-point number 50 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 28 33) Finished k-point number 34 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 28 20) Finished k-point number 21 1 with #bands= 28 41) Finished k-point number 42 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 26 46) Finished k-point number 47 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 28 54) Finished k-point number 55 1 with #bands= 26 66) Finished k-point number 67 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.977751746049762 0.974983514409365 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 28 12) Finished k-point number 13 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 22) Finished k-point number 23 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 28 36) Finished k-point number 37 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 28 20) Finished k-point number 21 1 with #bands= 28 39) Finished k-point number 40 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 26 46) Finished k-point number 47 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 28 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 68) Finished k-point number 69 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 28 27) Finished k-point number 28 1 with #bands= 28 56) Finished k-point number 57 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 28 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.3299402334645 Density= 19.0525440242991 EF 12.0578264013509 Density= 18.3738339884388 Brent's Method Step XA XB F(XA) F(XB) 0 0.90623397 0.88623397 0.525440E-01 -0.626166 1 0.90468562 0.90623397 -0.771939E-02 0.525440E-01 2 0.90488396 0.90623397 -0.977256E-04 0.525440E-01 3 0.90488650 0.90488396 0.465495E-08 -0.977256E-04 4 0.90488650 0.90488650 -0.127898E-12 0.465495E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0183333573 EF set to : 12.3116068762 new EF (no-mixing): 12.3116068762 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 35) Finished k-point 36 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 47) Finished k-point 48 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 46) Finished k-point 47 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 2) Finished k-point 3 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 27) Finished k-point 28 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= -2.12444855222616 eV Ratio to renormalize= 1.00000000044572 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.3116068761562 15) Finished k-point number 16 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 sumw= 1728.00000000000 3) Finished k-point number 4 1 with #bands= 28 beta....= 99.9999999999998 n0_om...= 201 19) Finished k-point number 20 1 with #bands= 28 8) Finished k-point number 9 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 28 2) Finished k-point number 3 1 with #bands= 28 31) Finished k-point number 32 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 39) Finished k-point number 40 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 28 7) Finished k-point number 8 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 28 32) Finished k-point number 33 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 38) Finished k-point number 39 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.960863937424250 0.950605779377994 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 28 23) Finished k-point number 24 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 29) Finished k-point number 30 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 28 9) Finished k-point number 10 1 with #bands= 28 32) Finished k-point number 33 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 18) Finished k-point number 19 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 28 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 26 46) Finished k-point number 47 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 28 44) Finished k-point number 45 1 with #bands= 28 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.3116068761562 Density= 18.7908541495889 EF 12.5837207082697 Density= 19.7354181600183 Brent's Method Step XA XB F(XA) F(XB) 0 0.92488650 0.90488650 0.735418 -0.209146 1 0.91488650 0.90488651 0.226098 -0.209146 2 0.90988651 0.91488674 -0.150930E-02 0.226098 3 0.90991966 0.91488674 -0.503941E-04 0.226098 4 0.90992081 0.90991966 0.319778E-08 -0.503941E-04 5 0.90992081 0.90992081 -0.120347E-08 0.319778E-08 6 0.90992081 0.90992081 0.319778E-08 -0.120347E-08 7 0.90992081 0.90992081 0.319778E-08 -0.120347E-08 Absolute convergence of the X interval. Difference in EF too large to mix 6.849529412625595E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0684952941 EF set to : 12.3801021703 new EF (no-mixing): 12.3801021703 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 12) Finished k-point 13 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 10) Finished k-point 11 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 35) Finished k-point 36 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 37) Finished k-point 38 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 46) Finished k-point 47 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 20) Finished k-point 21 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 48) Finished k-point 49 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 27) Finished k-point 28 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 43) Finished k-point 44 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= 7.04141375306317 eV Ratio to renormalize= 1.00000000029455 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 13) Finished k-point number 14 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 28 19) Finished k-point number 20 1 with #bands= 28 12) Finished k-point number 13 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 43) Finished k-point number 44 1 with #bands= 28 2) Finished k-point number 3 1 with #bands= 28 41) Finished k-point number 42 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 28 46) Finished k-point number 47 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 28 20) Finished k-point number 21 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 28 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 42) Finished k-point number 43 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 Found EF.dat and EF is 12.3801021702824 44) Finished k-point number 45 1 with #bands= 28 66) Finished k-point number 67 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 sumw= 1728.00000000000 34) Finished k-point number 35 1 with #bands= 24 beta....= 99.9999999999998 n0_om...= 201 40) Finished k-point number 41 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 53) Finished k-point number 54 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 63) Finished k-point number 64 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.965519485236622 0.957355997836993 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 35) Finished k-point number 36 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 27) Finished k-point number 28 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 7) Finished k-point number 8 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 28 36) Finished k-point number 37 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 37) Finished k-point number 38 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 28 19) Finished k-point number 20 1 with #bands= 28 60) Finished k-point number 61 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 28 66) Finished k-point number 67 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 43) Finished k-point number 44 1 with #bands= 28 48) Finished k-point number 49 1 with #bands= 28 44) Finished k-point number 45 1 with #bands= 28 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.3801021702824 Density= 18.8051936403169 EF 12.6522160023960 Density= 19.7252529962298 Brent's Method Step XA XB F(XA) F(XB) 0 0.92992081 0.90992081 0.725253 -0.194806 1 0.91992081 0.90992083 0.215798 -0.194806 2 0.91492082 0.91992058 -0.648852E-02 0.215798 3 0.91506676 0.91992058 -0.421260E-03 0.215798 4 0.91507687 0.91506676 0.294879E-06 -0.421260E-03 5 0.91507687 0.91507687 -0.503100E-10 0.294879E-06 Absolute convergence of |F(X)|. Difference in EF too large to mix 7.015173871190408E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0701517387 EF set to : 12.4502539090 new EF (no-mixing): 12.4502539090 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 23) Finished k-point 24 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 37) Finished k-point 38 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 36 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 46) Finished k-point 47 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 32) Finished k-point 33 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 11 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 49) Finished k-point 50 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 3 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 27) Finished k-point 28 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 43) Finished k-point 44 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= 4.66694106172866 eV Ratio to renormalize= 1.00000000045161 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 7) Finished k-point number 8 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 28 37) Finished k-point number 38 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 8) Finished k-point number 9 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 6) Finished k-point number 7 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 33) Finished k-point number 34 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 30 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 40) Finished k-point number 41 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 24 Found EF.dat and EF is 12.4502539089943 32) Finished k-point number 33 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 27) Finished k-point number 28 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 28 14) Finished k-point number 15 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 26 45) Finished k-point number 46 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 28 20) Finished k-point number 21 1 with #bands= 28 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 53) Finished k-point number 54 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.973888917403090 0.969940446632358 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 28 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 35) Finished k-point number 36 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 28 38) Finished k-point number 39 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 8) Finished k-point number 9 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 28 61) Finished k-point number 62 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 26 37) Finished k-point number 38 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 40) Finished k-point number 41 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 69) Finished k-point number 70 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 28 55) Finished k-point number 56 1 with #bands= 24 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.4502539089943 Density= 19.0348493949055 EF 12.1781400768807 Density= 18.4893811777871 Brent's Method Step XA XB F(XA) F(XB) 0 0.91507687 0.89507687 0.348494E-01 -0.510619 1 0.91379909 0.91507687 -0.607665E-02 0.348494E-01 2 0.91398881 0.91507687 -0.945403E-04 0.348494E-01 3 0.91399180 0.91507687 -0.309874E-08 0.348494E-01 4 0.91399180 0.91399180 0.629115E-10 -0.309874E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0147630701 EF set to : 12.4354908389 new EF (no-mixing): 12.4354908389 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 47) Finished k-point 48 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 49) Finished k-point 50 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 10) Finished k-point 11 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= -2.53335049889383 eV Ratio to renormalize= 1.00000000039932 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 28 1) Finished k-point number 2 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 10) Finished k-point number 11 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 28 5) Finished k-point number 6 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 28 50) Finished k-point number 51 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 28 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.4354908389438 21) Finished k-point number 22 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 24 sumw= 1728.00000000000 13) Finished k-point number 14 1 with #bands= 24 beta....= 99.9999999999998 n0_om...= 201 28) Finished k-point number 29 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 29) Finished k-point number 30 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 59) Finished k-point number 60 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 28 18) Finished k-point number 19 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 61) Finished k-point number 62 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.968819080392728 0.962905636199251 4) Finished k-point number 5 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 45) Finished k-point number 46 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 28 9) Finished k-point number 10 1 with #bands= 28 24) Finished k-point number 25 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 35) Finished k-point number 36 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 28 27) Finished k-point number 28 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 71) Finished k-point number 72 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 15) Finished k-point number 16 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 58) Finished k-point number 59 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 28 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.4354908389438 Density= 19.0550564397087 EF 12.1633770068303 Density= 18.4798664387749 Brent's Method Step XA XB F(XA) F(XB) 0 0.91399180 0.89399180 0.550564E-01 -0.520134 1 0.91207743 0.91399180 -0.218932E-01 0.550564E-01 2 0.91262209 0.91399180 -0.696153E-03 0.550564E-01 3 0.91263976 0.91262209 0.992046E-06 -0.696153E-03 4 0.91263973 0.91263976 -0.425498E-09 0.992046E-06 5 0.91263973 0.91263973 0.352278E-08 -0.425498E-09 6 0.91263973 0.91263973 0.352278E-08 -0.425498E-09 Absolute convergence of the X interval. Difference in EF= -0.0183958396 EF set to : 12.4170949993 new EF (no-mixing): 12.4170949993 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 47) Finished k-point 48 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 49) Finished k-point 50 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 3 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 38 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= -0.847618224839834 eV Ratio to renormalize= 1.00000000034355 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 7) Finished k-point number 8 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 28 32) Finished k-point number 33 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 10) Finished k-point number 11 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 28 35) Finished k-point number 36 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 49) Finished k-point number 50 1 with #bands= 26 Found EF.dat and EF is 12.4170949993087 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 24 sumw= 1728.00000000000 54) Finished k-point number 55 1 with #bands= 26 60) Finished k-point number 61 1 with #bands= 22 beta....= 99.9999999999998 n0_om...= 201 37) Finished k-point number 38 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 28 63) Finished k-point number 64 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 26 69) Finished k-point number 70 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 28 45) Finished k-point number 46 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.968581053021147 0.962939963776597 52) Finished k-point number 53 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 28 45) Finished k-point number 46 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 28 24) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 17) Finished k-point number 18 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 28 13) Finished k-point number 14 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 28 35) Finished k-point number 36 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 28 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.4170949993087 Density= 19.1489504877272 EF 12.1449811671951 Density= 18.5651798932902 Brent's Method Step XA XB F(XA) F(XB) 0 0.91263973 0.89263973 0.148950 -0.434820 1 0.90753668 0.91263973 -0.466768E-01 0.148950 2 0.90875427 0.91263973 -0.393797E-02 0.148950 3 0.90886357 0.90875427 0.303782E-04 -0.393797E-02 4 0.90886274 0.90886357 -0.809619E-07 0.303782E-04 5 0.90886274 0.90886357 -0.165201E-11 0.303782E-04 Absolute convergence of |F(X)|. Difference in EF too large to mix -5.138858686320104E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0513885869 EF set to : 12.3657064124 new EF (no-mixing): 12.3657064124 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 2) Finished k-point 3 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -5.37360917876145 eV Ratio to renormalize= 1.00000000055105 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 3) Finished k-point number 4 1 with #bands= 28 12) Finished k-point number 13 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 23) Finished k-point number 24 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 33) Finished k-point number 34 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 28 39) Finished k-point number 40 1 with #bands= 24 Found EF.dat and EF is 12.3657064124455 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 28) Finished k-point number 29 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 30) Finished k-point number 31 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 43) Finished k-point number 44 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 26 66) Finished k-point number 67 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.969874623052263 0.965079434472497 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 28 45) Finished k-point number 46 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 26) Finished k-point number 27 1 with #bands= 28 46) Finished k-point number 47 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 27) Finished k-point number 28 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 57) Finished k-point number 58 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 28 19) Finished k-point number 20 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.3657064124455 Density= 19.1335976303532 EF 12.0935925803319 Density= 18.5458762717725 Brent's Method Step XA XB F(XA) F(XB) 0 0.90886274 0.88886274 0.133598 -0.454124 1 0.90431645 0.90886274 -0.396542E-01 0.133598 2 0.90535701 0.90886274 -0.296262E-02 0.133598 3 0.90543921 0.90535701 0.151074E-04 -0.296262E-02 4 0.90543879 0.90543921 -0.290758E-07 0.151074E-04 5 0.90543879 0.90543921 -0.284217E-12 0.151074E-04 Absolute convergence of |F(X)|. Difference in EF too large to mix -4.658517253854228E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0465851725 EF set to : 12.3191212399 new EF (no-mixing): 12.3191212399 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 32 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.24148345293439 eV Ratio to renormalize= 1.00000000056977 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 15) Finished k-point number 16 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 28 34) Finished k-point number 35 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 22) Finished k-point number 23 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 Found EF.dat and EF is 12.3191212399070 30) Finished k-point number 31 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 13) Finished k-point number 14 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 28 45) Finished k-point number 46 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 30 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 2) Finished k-point number 3 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 55) Finished k-point number 56 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 8) Finished k-point number 9 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970391262353512 0.965473433538624 40) Finished k-point number 41 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 22) Finished k-point number 23 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 26 60) Finished k-point number 61 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 52) Finished k-point number 53 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 49) Finished k-point number 50 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 28 54) Finished k-point number 55 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 70) Finished k-point number 71 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.3191212399070 Density= 19.1384838479490 EF 12.0470074077934 Density= 18.5353772378112 Brent's Method Step XA XB F(XA) F(XB) 0 0.90543879 0.88543879 0.138484 -0.464623 1 0.90084644 0.90543879 -0.409633E-01 0.138484 2 0.90189476 0.90543879 -0.295716E-02 0.138484 3 0.90197462 0.90189476 0.147231E-04 -0.295716E-02 4 0.90197423 0.90197462 -0.264081E-07 0.147231E-04 5 0.90197423 0.90197462 -0.230926E-12 0.147231E-04 Absolute convergence of |F(X)|. Difference in EF too large to mix -4.713779506536765E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0471377951 EF set to : 12.2719834448 new EF (no-mixing): 12.2719834448 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.89240415923786 eV Ratio to renormalize= 1.00000000060989 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 30 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.2719834448416 4) Finished k-point number 5 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 7) Finished k-point number 8 1 with #bands= 32 sumw= 1728.00000000000 5) Finished k-point number 6 1 with #bands= 24 beta....= 99.9999999999998 n0_om...= 201 3) Finished k-point number 4 1 with #bands= 28 13) Finished k-point number 14 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 15) Finished k-point number 16 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 28 23) Finished k-point number 24 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 46) Finished k-point number 47 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 43) Finished k-point number 44 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 62) Finished k-point number 63 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970571638238292 0.965762377342642 22) Finished k-point number 23 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 10) Finished k-point number 11 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 28 41) Finished k-point number 42 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 37) Finished k-point number 38 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 25) Finished k-point number 26 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 28 26) Finished k-point number 27 1 with #bands= 28 52) Finished k-point number 53 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 28 50) Finished k-point number 51 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 26 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 28 63) Finished k-point number 64 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.2719834448416 Density= 19.1099553737504 EF 11.9998696127280 Density= 18.5082407061945 Brent's Method Step XA XB F(XA) F(XB) 0 0.90197423 0.88197423 0.109955 -0.491759 1 0.89831949 0.90197423 -0.338936E-01 0.109955 2 0.89918062 0.90197423 -0.196244E-02 0.109955 3 0.89923261 0.89918062 0.649122E-05 -0.196244E-02 4 0.89923244 0.89923261 -0.756954E-08 0.649122E-05 5 0.89923244 0.89923261 -0.355271E-13 0.649122E-05 Absolute convergence of |F(X)|. Difference in EF too large to mix -3.730387377724861E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0373038738 EF set to : 12.2346795711 new EF (no-mixing): 12.2346795711 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.92617027416898 eV Ratio to renormalize= 1.00000000056690 nargs= 1 argi=dmft2.def Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 4) Finished k-point number 5 1 with #bands= 24 Found EF.dat and EF is 12.2346795710644 13) Finished k-point number 14 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 10) Finished k-point number 11 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 28 5) Finished k-point number 6 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 26 sumw= 1728.00000000000 18) Finished k-point number 19 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 30 beta....= 99.9999999999998 n0_om...= 201 15) Finished k-point number 16 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 31) Finished k-point number 32 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 28 37) Finished k-point number 38 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 26) Finished k-point number 27 1 with #bands= 28 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 26 63) Finished k-point number 64 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970291560140491 0.965769457443807 12) Finished k-point number 13 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 11) Finished k-point number 12 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 28 17) Finished k-point number 18 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 28 50) Finished k-point number 51 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 27) Finished k-point number 28 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 61) Finished k-point number 62 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 28 64) Finished k-point number 65 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.2346795710644 Density= 19.0736686573032 EF 11.9625657389508 Density= 18.4721359162796 Brent's Method Step XA XB F(XA) F(XB) 0 0.89923244 0.87923244 0.736687E-01 -0.527864 1 0.89678308 0.89923244 -0.262597E-01 0.736687E-01 2 0.89742673 0.89923244 -0.103229E-02 0.736687E-01 3 0.89745271 0.89742673 0.202230E-05 -0.103229E-02 4 0.89745266 0.89745271 -0.121341E-08 0.202230E-05 5 0.89745266 0.89745266 0.277106E-08 -0.121341E-08 6 0.89745266 0.89745266 0.277106E-08 -0.121341E-08 Absolute convergence of the X interval. Difference in EF= -0.0242152087 EF set to : 12.2104643624 new EF (no-mixing): 12.2104643624 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.84686368585704 eV Ratio to renormalize= 1.00000000041927 nargs= 1 argi=dmft2.def 24) Finished k-point number 25 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 32) Finished k-point number 33 1 with #bands= 26 Found EF.dat and EF is 12.2104643623545 1) Finished k-point number 2 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 28 34) Finished k-point number 35 1 with #bands= 24 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 7) Finished k-point number 8 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 5) Finished k-point number 6 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 52) Finished k-point number 53 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 56) Finished k-point number 57 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 63) Finished k-point number 64 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 28 14) Finished k-point number 15 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 22) Finished k-point number 23 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970385402248926 0.965656575845090 22) Finished k-point number 23 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 28 58) Finished k-point number 59 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 2) Finished k-point number 3 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 26 37) Finished k-point number 38 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 28 45) Finished k-point number 46 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 27) Finished k-point number 28 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 50) Finished k-point number 51 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 28 62) Finished k-point number 63 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 43) Finished k-point number 44 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.2104643623545 Density= 19.0448248161543 EF 11.9383505302409 Density= 18.4495831195184 Brent's Method Step XA XB F(XA) F(XB) 0 0.89745266 0.87745266 0.448248E-01 -0.550417 1 0.89594655 0.89745266 -0.184093E-01 0.448248E-01 2 0.89638502 0.89745266 -0.455181E-03 0.448248E-01 3 0.89639603 0.89638502 0.464010E-06 -0.455181E-03 4 0.89639602 0.89639603 -0.123290E-09 0.464010E-06 5 0.89639602 0.89639602 0.401830E-08 -0.123290E-09 6 0.89639602 0.89639602 0.401830E-08 -0.123290E-09 Absolute convergence of the X interval. Difference in EF= -0.0143763239 EF set to : 12.1960880384 new EF (no-mixing): 12.1960880384 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.80380430591753 eV Ratio to renormalize= 1.00000000023014 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 28 18) Finished k-point number 19 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 23) Finished k-point number 24 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 19) Finished k-point number 20 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.1960880384411 49) Finished k-point number 50 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 36) Finished k-point number 37 1 with #bands= 22 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 35) Finished k-point number 36 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 28 30) Finished k-point number 31 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 71) Finished k-point number 72 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 45) Finished k-point number 46 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 8) Finished k-point number 9 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 28 56) Finished k-point number 57 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 28 41) Finished k-point number 42 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970521744693556 0.965737257092397 24) Finished k-point number 25 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 26 37) Finished k-point number 38 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 13) Finished k-point number 14 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 22) Finished k-point number 23 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 54) Finished k-point number 55 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 28 30) Finished k-point number 31 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 28 9) Finished k-point number 10 1 with #bands= 28 41) Finished k-point number 42 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 64) Finished k-point number 65 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 30 67) Finished k-point number 68 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 70) Finished k-point number 71 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1960880384411 Density= 19.0344337382068 EF 11.9239742063275 Density= 18.4368341831404 Brent's Method Step XA XB F(XA) F(XB) 0 0.89639602 0.87639602 0.344337E-01 -0.563166 1 0.89524362 0.89639602 -0.133455E-01 0.344337E-01 2 0.89556550 0.89639602 -0.235092E-03 0.344337E-01 3 0.89557123 0.89556550 0.112937E-06 -0.235092E-03 4 0.89557123 0.89557123 -0.141682E-10 0.112937E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0112218037 EF set to : 12.1848662347 new EF (no-mixing): 12.1848662347 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.86432585989519 eV Ratio to renormalize= 1.00000000085641 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 28 8) Finished k-point number 9 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 21) Finished k-point number 22 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 23) Finished k-point number 24 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 24 Found EF.dat and EF is 12.1848662346995 27) Finished k-point number 28 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 31) Finished k-point number 32 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 44) Finished k-point number 45 1 with #bands= 28 33) Finished k-point number 34 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 28 43) Finished k-point number 44 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 71) Finished k-point number 72 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970417071153353 0.965760683861046 15) Finished k-point number 16 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 28 24) Finished k-point number 25 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 32 38) Finished k-point number 39 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 47) Finished k-point number 48 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 18) Finished k-point number 19 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 66) Finished k-point number 67 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 28 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1848662346995 Density= 19.0385293893470 EF 11.9127524025859 Density= 18.4410600930021 Brent's Method Step XA XB F(XA) F(XB) 0 0.89557123 0.87557123 0.385294E-01 -0.558940 1 0.89428148 0.89557123 -0.146686E-01 0.385294E-01 2 0.89463711 0.89557123 -0.299072E-03 0.385294E-01 3 0.89464445 0.89463711 0.178650E-06 -0.299072E-03 4 0.89464445 0.89464445 -0.296083E-10 0.178650E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0126095115 EF set to : 12.1722567232 new EF (no-mixing): 12.1722567232 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.78705911623895 eV Ratio to renormalize= 1.00000000035165 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 28 12) Finished k-point number 13 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 4) Finished k-point number 5 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 15) Finished k-point number 16 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 28 39) Finished k-point number 40 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 66) Finished k-point number 67 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 52) Finished k-point number 53 1 with #bands= 22 Found EF.dat and EF is 12.1722567231841 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 54) Finished k-point number 55 1 with #bands= 26 62) Finished k-point number 63 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970503036156750 0.965683795667755 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 28 38) Finished k-point number 39 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 28 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 63) Finished k-point number 64 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 28 62) Finished k-point number 63 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 33) Finished k-point number 34 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 67) Finished k-point number 68 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 28 17) Finished k-point number 18 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1722567231841 Density= 19.0166043681870 EF 11.9001428910705 Density= 18.4167712981075 Brent's Method Step XA XB F(XA) F(XB) 0 0.89464445 0.87464445 0.166044E-01 -0.583229 1 0.89409081 0.89464445 -0.652204E-02 0.166044E-01 2 0.89424695 0.89464445 -0.520512E-04 0.166044E-01 3 0.89424820 0.89424695 0.535925E-08 -0.520512E-04 4 0.89424820 0.89424820 -0.135003E-12 0.535925E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0053912151 EF set to : 12.1668655081 new EF (no-mixing): 12.1668655081 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 Sum of eigenvalues= -7.81834934448611 eV Ratio to renormalize= 1.00000000045125 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 30 16) Finished k-point number 17 1 with #bands= 28 5) Finished k-point number 6 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 33) Finished k-point number 34 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 3) Finished k-point number 4 1 with #bands= 28 17) Finished k-point number 18 1 with #bands= 32 32) Finished k-point number 33 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 28) Finished k-point number 29 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 Found EF.dat and EF is 12.1668655081162 31) Finished k-point number 32 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 sumw= 1728.00000000000 37) Finished k-point number 38 1 with #bands= 24 beta....= 99.9999999999998 n0_om...= 201 39) Finished k-point number 40 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 46) Finished k-point number 47 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 41) Finished k-point number 42 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 40) Finished k-point number 41 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 52) Finished k-point number 53 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970591299595222 0.965757610537718 4) Finished k-point number 5 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 28 24) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 28) Finished k-point number 29 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 33) Finished k-point number 34 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 39) Finished k-point number 40 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 38) Finished k-point number 39 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 47) Finished k-point number 48 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 28 54) Finished k-point number 55 1 with #bands= 26 43) Finished k-point number 44 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 28 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1668655081162 Density= 18.9994690658073 EF 12.4389793402298 Density= 20.0682185094390 Brent's Method Step XA XB F(XA) F(XB) 0 0.91424820 0.89424820 1.06822 -0.530934E-03 1 0.90424820 0.89424822 0.481018 -0.530934E-03 2 0.89924821 0.89424845 0.232071 -0.530934E-03 3 0.89674833 0.89424810 0.112645 -0.530934E-03 4 0.89549821 0.89424827 0.549246E-01 -0.530934E-03 5 0.89487324 0.89424842 0.268666E-01 -0.530934E-03 6 0.89456083 0.89424811 0.130837E-01 -0.530934E-03 7 0.89440447 0.89424803 0.625136E-02 -0.530934E-03 8 0.89432625 0.89424807 0.285061E-02 -0.530934E-03 9 0.89428716 0.89424805 0.115549E-02 -0.530934E-03 10 0.89426760 0.89424806 0.308592E-03 -0.530934E-03 11 0.89426044 0.89426760 -0.150948E-05 0.308592E-03 12 0.89426047 0.89426760 -0.240679E-09 0.308592E-03 13 0.89426047 0.89426047 0.408680E-08 -0.240679E-09 14 0.89426047 0.89426047 0.408680E-08 -0.240679E-09 Absolute convergence of the X interval. Difference in EF= 0.0001669738 EF set to : 12.1670324819 new EF (no-mixing): 12.1670324819 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.88189212178730 eV Ratio to renormalize= 1.00000000017824 nargs= 1 argi=dmft2.def Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.1670324819420 3) Finished k-point number 4 1 with #bands= 28 1) Finished k-point number 2 1 with #bands= 32 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 32) Finished k-point number 33 1 with #bands= 26 47) Finished k-point number 48 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 11) Finished k-point number 12 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 26 38) Finished k-point number 39 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 51) Finished k-point number 52 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 13) Finished k-point number 14 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 62) Finished k-point number 63 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 48) Finished k-point number 49 1 with #bands= 28 67) Finished k-point number 68 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 69) Finished k-point number 70 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970462267720915 0.965861842029458 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 28 24) Finished k-point number 25 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 28 22) Finished k-point number 23 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 15) Finished k-point number 16 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 28 60) Finished k-point number 61 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 28 54) Finished k-point number 55 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 28 19) Finished k-point number 20 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 43) Finished k-point number 44 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1670324819420 Density= 19.0086942722701 EF 11.8949186498285 Density= 18.4135454943536 Brent's Method Step XA XB F(XA) F(XB) 0 0.89426047 0.87426047 0.869427E-02 -0.586455 1 0.89396830 0.89426047 -0.373116E-02 0.869427E-02 2 0.89405604 0.89426047 -0.163221E-04 0.869427E-02 3 0.89405642 0.89405604 0.599691E-09 -0.163221E-04 4 0.89405642 0.89405642 -0.364263E-08 0.599691E-09 5 0.89405642 0.89405642 -0.364263E-08 0.599691E-09 Absolute convergence of the X interval. Difference in EF= -0.0027762730 EF set to : 12.1642562089 new EF (no-mixing): 12.1642562089 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.90046866433272 eV Ratio to renormalize= 1.00000000057182 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 28 4) Finished k-point number 5 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 28 19) Finished k-point number 20 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 37) Finished k-point number 38 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 26 47) Finished k-point number 48 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 21) Finished k-point number 22 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 60) Finished k-point number 61 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.1642562089058 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 26) Finished k-point number 27 1 with #bands= 28 28) Finished k-point number 29 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970483411369172 0.965810335076036 12) Finished k-point number 13 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 20) Finished k-point number 21 1 with #bands= 28 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 28 9) Finished k-point number 10 1 with #bands= 28 2) Finished k-point number 3 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 51) Finished k-point number 52 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 49) Finished k-point number 50 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 28 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1642562089058 Density= 19.0169529953573 EF 11.8921423767922 Density= 18.4179116730586 Brent's Method Step XA XB F(XA) F(XB) 0 0.89405642 0.87405642 0.169530E-01 -0.582088 1 0.89349042 0.89405642 -0.720297E-02 0.169530E-01 2 0.89365919 0.89405642 -0.619165E-04 0.169530E-01 3 0.89366065 0.89365919 0.861681E-08 -0.619165E-04 4 0.89366065 0.89366065 -0.277112E-12 0.861681E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0053847493 EF set to : 12.1588714596 new EF (no-mixing): 12.1588714596 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 Sum of eigenvalues= -7.82260989158664 eV Ratio to renormalize= 1.00000000042673 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 4) Finished k-point number 5 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 28 3) Finished k-point number 4 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.1588714596006 33) Finished k-point number 34 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 sumw= 1728.00000000000 31) Finished k-point number 32 1 with #bands= 24 beta....= 99.9999999999998 n0_om...= 201 9) Finished k-point number 10 1 with #bands= 28 49) Finished k-point number 50 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 32 50) Finished k-point number 51 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 28 51) Finished k-point number 52 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 68) Finished k-point number 69 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 69) Finished k-point number 70 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 17) Finished k-point number 18 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 38) Finished k-point number 39 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970459949946353 0.965814984556505 28) Finished k-point number 29 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 10) Finished k-point number 11 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 24) Finished k-point number 25 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 28 2) Finished k-point number 3 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 28 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 46) Finished k-point number 47 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 47) Finished k-point number 48 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 64) Finished k-point number 65 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 56) Finished k-point number 57 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 28 57) Finished k-point number 58 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1588714596006 Density= 18.9988280808541 EF 12.4309852917142 Density= 20.0307536614998 Brent's Method Step XA XB F(XA) F(XB) 0 0.91366065 0.89366065 1.03075 -0.117192E-02 1 0.90366065 0.89366067 0.468707 -0.117192E-02 2 0.89866066 0.89366090 0.223806 -0.117192E-02 3 0.89616078 0.89366102 0.107846 -0.117192E-02 4 0.89491090 0.89366072 0.522315E-01 -0.117192E-02 5 0.89428581 0.89366063 0.252211E-01 -0.117192E-02 6 0.89397322 0.89366068 0.119429E-01 -0.117192E-02 7 0.89381695 0.89366089 0.536530E-02 -0.117192E-02 8 0.89373892 0.89366055 0.209654E-02 -0.117192E-02 9 0.89369973 0.89366072 0.458834E-03 -0.117192E-02 10 0.89368877 0.89366072 0.125427E-05 -0.117192E-02 11 0.89368874 0.89366072 0.880597E-09 -0.117192E-02 12 0.89368874 0.89368874 -0.329330E-08 0.880597E-09 13 0.89368874 0.89368874 -0.329330E-08 0.880597E-09 Absolute convergence of the X interval. Difference in EF= 0.0003822336 EF set to : 12.1592536932 new EF (no-mixing): 12.1592536932 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.85109494568809 eV Ratio to renormalize= 1.00000000063580 nargs= 1 argi=dmft2.def Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.1592536931526 4) Finished k-point number 5 1 with #bands= 24 sumw= 1728.00000000000 5) Finished k-point number 6 1 with #bands= 24 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 30 0) Finished k-point number 1 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 28 7) Finished k-point number 8 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 28 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 12) Finished k-point number 13 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 28 22) Finished k-point number 23 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 28 48) Finished k-point number 49 1 with #bands= 28 37) Finished k-point number 38 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 28 55) Finished k-point number 56 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 45) Finished k-point number 46 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 53) Finished k-point number 54 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 24) Finished k-point number 25 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970622890143965 0.965716490836647 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 2) Finished k-point number 3 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 40) Finished k-point number 41 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 33) Finished k-point number 34 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 15) Finished k-point number 16 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 28 19) Finished k-point number 20 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 28 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 32 62) Finished k-point number 63 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 30 27) Finished k-point number 28 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1592536931526 Density= 19.0025560695766 EF 11.8871398610390 Density= 18.4100110156338 Brent's Method Step XA XB F(XA) F(XB) 0 0.89368874 0.87368874 0.255607E-02 -0.589989 1 0.89360247 0.89368874 -0.104546E-02 0.255607E-02 2 0.89362751 0.89368874 -0.137053E-05 0.255607E-02 3 0.89362754 0.89362751 0.383338E-11 -0.137053E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0008326353 EF set to : 12.1584210579 new EF (no-mixing): 12.1584210579 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.87319813922086 eV Ratio to renormalize= 1.00000000042700 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 28 21) Finished k-point number 22 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 19) Finished k-point number 20 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 30 3) Finished k-point number 4 1 with #bands= 28 6) Finished k-point number 7 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 30 41) Finished k-point number 42 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 28 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.1584210578590 43) Finished k-point number 44 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 24 sumw= 1728.00000000000 35) Finished k-point number 36 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 beta....= 99.9999999999998 n0_om...= 201 53) Finished k-point number 54 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 28 38) Finished k-point number 39 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 30 54) Finished k-point number 55 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 69) Finished k-point number 70 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 62) Finished k-point number 63 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 66) Finished k-point number 67 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970595244058834 0.965720380433478 4) Finished k-point number 5 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 28 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 23) Finished k-point number 24 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 56) Finished k-point number 57 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 28 54) Finished k-point number 55 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 28 27) Finished k-point number 28 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 28 48) Finished k-point number 49 1 with #bands= 28 43) Finished k-point number 44 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 65) Finished k-point number 66 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1584210578590 Density= 19.0049277725670 EF 11.8863072257454 Density= 18.4111350185765 Brent's Method Step XA XB F(XA) F(XB) 0 0.89362754 0.87362755 0.492777E-02 -0.588865 1 0.89346157 0.89362754 -0.219613E-02 0.492777E-02 2 0.89351274 0.89362754 -0.570429E-05 0.492777E-02 3 0.89351287 0.89351274 0.763336E-10 -0.570429E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0015602545 EF set to : 12.1568608034 new EF (no-mixing): 12.1568608034 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.83791825158170 eV Ratio to renormalize= 1.00000000040686 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 6) Finished k-point number 7 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 28 7) Finished k-point number 8 1 with #bands= 32 4) Finished k-point number 5 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 67) Finished k-point number 68 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 28 38) Finished k-point number 39 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 2) Finished k-point number 3 1 with #bands= 30 43) Finished k-point number 44 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 Found EF.dat and EF is 12.1568608034048 69) Finished k-point number 70 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 71) Finished k-point number 72 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 22 sumw= 1728.00000000000 68) Finished k-point number 69 1 with #bands= 24 beta....= 99.9999999999998 n0_om...= 201 64) Finished k-point number 65 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 45) Finished k-point number 46 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 49) Finished k-point number 50 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 70) Finished k-point number 71 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970421890785428 0.965850566833913 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 14) Finished k-point number 15 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 8) Finished k-point number 9 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 28) Finished k-point number 29 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 32 26) Finished k-point number 27 1 with #bands= 28 61) Finished k-point number 62 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 28 63) Finished k-point number 64 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 62) Finished k-point number 63 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 28 65) Finished k-point number 66 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 70) Finished k-point number 71 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 28 17) Finished k-point number 18 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1568608034048 Density= 18.9841270575141 EF 12.4289746355184 Density= 20.0325109551958 Brent's Method Step XA XB F(XA) F(XB) 0 0.91351287 0.89351287 1.03251 -0.158729E-01 1 0.90351287 0.89351289 0.461024 -0.158729E-01 2 0.89851288 0.89351312 0.212868 -0.158730E-01 3 0.89601300 0.89351276 0.951244E-01 -0.158729E-01 4 0.89476288 0.89351294 0.385141E-01 -0.158729E-01 5 0.89413791 0.89351309 0.110088E-01 -0.158729E-01 6 0.89388372 0.89413791 -0.284224E-05 0.110088E-01 7 0.89388379 0.89413791 -0.137855E-07 0.110088E-01 8 0.89388379 0.89388379 0.355271E-14 -0.137855E-07 Absolute convergence of |F(X)|. Difference in EF= 0.0050466250 EF set to : 12.1619074284 new EF (no-mixing): 12.1619074284 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 Sum of eigenvalues= -7.90236840275504 eV Ratio to renormalize= 1.00000000049412 nargs= 1 argi=dmft2.def 12) Finished k-point number 13 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 16) Finished k-point number 17 1 with #bands= 28 26) Finished k-point number 27 1 with #bands= 28 13) Finished k-point number 14 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.1619074283707 3) Finished k-point number 4 1 with #bands= 28 20) Finished k-point number 21 1 with #bands= 28 19) Finished k-point number 20 1 with #bands= 30 24) Finished k-point number 25 1 with #bands= 24 sumw= 1728.00000000000 6) Finished k-point number 7 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 26 beta....= 99.9999999999998 n0_om...= 201 1) Finished k-point number 2 1 with #bands= 32 35) Finished k-point number 36 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 30) Finished k-point number 31 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 29) Finished k-point number 30 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 55) Finished k-point number 56 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 44) Finished k-point number 45 1 with #bands= 28 47) Finished k-point number 48 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970432283509748 0.965834085523465 5) Finished k-point number 6 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 28) Finished k-point number 29 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 52) Finished k-point number 53 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 37) Finished k-point number 38 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 26 60) Finished k-point number 61 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 28 3) Finished k-point number 4 1 with #bands= 28 38) Finished k-point number 39 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 28 7) Finished k-point number 8 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 28 43) Finished k-point number 44 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1619074283707 Density= 18.9966076099179 EF 12.4340212604843 Density= 20.0398723109362 Brent's Method Step XA XB F(XA) F(XB) 0 0.91388379 0.89388379 1.03987 -0.339239E-02 1 0.90388379 0.89388381 0.471639 -0.339239E-02 2 0.89888380 0.89388404 0.223679 -0.339239E-02 3 0.89638392 0.89388416 0.106545 -0.339239E-02 4 0.89513404 0.89388386 0.504372E-01 -0.339239E-02 5 0.89450895 0.89388377 0.232052E-01 -0.339239E-02 6 0.89419636 0.89388382 0.982261E-02 -0.339239E-02 7 0.89404009 0.89388403 0.319439E-02 -0.339239E-02 8 0.89396453 0.89388403 0.472403E-05 -0.339239E-02 9 0.89396441 0.89388403 0.687065E-08 -0.339239E-02 10 0.89396441 0.89388403 0.284217E-13 -0.339239E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0010969781 EF set to : 12.1630044065 new EF (no-mixing): 12.1630044065 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.86759357374978 eV Ratio to renormalize= 1.00000000046414 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 28 7) Finished k-point number 8 1 with #bands= 32 5) Finished k-point number 6 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 28 12) Finished k-point number 13 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 28) Finished k-point number 29 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 28 20) Finished k-point number 21 1 with #bands= 28 35) Finished k-point number 36 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 14) Finished k-point number 15 1 with #bands= 24 Found EF.dat and EF is 12.1630044064823 23) Finished k-point number 24 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 48) Finished k-point number 49 1 with #bands= 28 18) Finished k-point number 19 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 49) Finished k-point number 50 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 45) Finished k-point number 46 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 30) Finished k-point number 31 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 66) Finished k-point number 67 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 68) Finished k-point number 69 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970491562485547 0.965632589699104 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 28 2) Finished k-point number 3 1 with #bands= 30 8) Finished k-point number 9 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 14) Finished k-point number 15 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 28 32) Finished k-point number 33 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 28 40) Finished k-point number 41 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 28 50) Finished k-point number 51 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 64) Finished k-point number 65 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 66) Finished k-point number 67 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 46) Finished k-point number 47 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1630044064823 Density= 19.0073884429277 EF 11.8908905743687 Density= 18.4078086098105 Brent's Method Step XA XB F(XA) F(XB) 0 0.89396441 0.87396442 0.738844E-02 -0.592191 1 0.89371796 0.89396441 -0.291344E-02 0.738844E-02 2 0.89378766 0.89396441 -0.100726E-04 0.738844E-02 3 0.89378790 0.89378766 0.197662E-09 -0.100726E-04 4 0.89378790 0.89378790 -0.397371E-08 0.197662E-09 5 0.89378790 0.89378790 -0.397371E-08 0.197662E-09 Absolute convergence of the X interval. Difference in EF= -0.0024015926 EF set to : 12.1606028139 new EF (no-mixing): 12.1606028139 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 Sum of eigenvalues= -7.70935014332735 eV Ratio to renormalize= 1.00000000064595 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 13) Finished k-point number 14 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.1606028138819 3) Finished k-point number 4 1 with #bands= 28 20) Finished k-point number 21 1 with #bands= 28 4) Finished k-point number 5 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 sumw= 1728.00000000000 8) Finished k-point number 9 1 with #bands= 30 beta....= 99.9999999999998 n0_om...= 201 9) Finished k-point number 10 1 with #bands= 28 10) Finished k-point number 11 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 32 15) Finished k-point number 16 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 0) Finished k-point number 1 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 18) Finished k-point number 19 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 37) Finished k-point number 38 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 40) Finished k-point number 41 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 45) Finished k-point number 46 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 28 24) Finished k-point number 25 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970669899681656 0.965960359862426 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 15) Finished k-point number 16 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 32 9) Finished k-point number 10 1 with #bands= 28 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 2) Finished k-point number 3 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 53) Finished k-point number 54 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 55) Finished k-point number 56 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 59) Finished k-point number 60 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 32 48) Finished k-point number 49 1 with #bands= 28 43) Finished k-point number 44 1 with #bands= 30 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 27) Finished k-point number 28 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1606028138819 Density= 18.9962277304126 EF 12.4327166459955 Density= 20.0353016304323 Brent's Method Step XA XB F(XA) F(XB) 0 0.91378790 0.89378790 1.03530 -0.377227E-02 1 0.90378790 0.89378792 0.468428 -0.377227E-02 2 0.89878791 0.89378815 0.222690 -0.377227E-02 3 0.89628803 0.89378827 0.106047 -0.377227E-02 4 0.89503815 0.89378797 0.500178E-01 -0.377227E-02 5 0.89441306 0.89378788 0.228057E-01 -0.377227E-02 6 0.89410047 0.89378793 0.943235E-02 -0.377227E-02 7 0.89394420 0.89378814 0.280910E-02 -0.377227E-02 8 0.89387771 0.89378814 0.412510E-05 -0.377227E-02 9 0.89387761 0.89378814 0.473523E-08 -0.377227E-02 10 0.89387761 0.89378814 0.710543E-14 -0.377227E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0012206092 EF set to : 12.1618234231 new EF (no-mixing): 12.1618234231 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 Sum of eigenvalues= -8.04341043723279 eV Ratio to renormalize= 1.00000000041145 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 28 7) Finished k-point number 8 1 with #bands= 32 6) Finished k-point number 7 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 30 33) Finished k-point number 34 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 21) Finished k-point number 22 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 28 46) Finished k-point number 47 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 42) Finished k-point number 43 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 30 9) Finished k-point number 10 1 with #bands= 28 38) Finished k-point number 39 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 50) Finished k-point number 51 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 27) Finished k-point number 28 1 with #bands= 30 39) Finished k-point number 40 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 28 29) Finished k-point number 30 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 58) Finished k-point number 59 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 63) Finished k-point number 64 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 Found EF.dat and EF is 12.1618234230938 68) Finished k-point number 69 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 60) Finished k-point number 61 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970281656054845 0.965985721864267 12) Finished k-point number 13 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 26 45) Finished k-point number 46 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 30 18) Finished k-point number 19 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 28 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 5) Finished k-point number 6 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 17) Finished k-point number 18 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 11) Finished k-point number 12 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 28 50) Finished k-point number 51 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 53) Finished k-point number 54 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 54) Finished k-point number 55 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 8) Finished k-point number 9 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 55) Finished k-point number 56 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1618234230938 Density= 19.0091697266850 EF 11.8897095909803 Density= 18.4105407671402 Brent's Method Step XA XB F(XA) F(XB) 0 0.89387761 0.87387761 0.916973E-02 -0.589459 1 0.89357126 0.89387761 -0.355533E-02 0.916973E-02 2 0.89365685 0.89387761 -0.153589E-04 0.916973E-02 3 0.89365722 0.89365685 0.450150E-09 -0.153589E-04 4 0.89365722 0.89365722 -0.369263E-08 0.450150E-09 5 0.89365722 0.89365722 -0.369263E-08 0.450150E-09 Absolute convergence of the X interval. Difference in EF= -0.0029985840 EF set to : 12.1588248391 new EF (no-mixing): 12.1588248391 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -8.05133109618699 eV Ratio to renormalize= 1.00000000063894 nargs= 1 argi=dmft2.def 37) Finished k-point number 38 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 32 20) Finished k-point number 21 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 5) Finished k-point number 6 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 22) Finished k-point number 23 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 30 21) Finished k-point number 22 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 38) Finished k-point number 39 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 30 36) Finished k-point number 37 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 28 1) Finished k-point number 2 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 30 31) Finished k-point number 32 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 9) Finished k-point number 10 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 26 46) Finished k-point number 47 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 28 47) Finished k-point number 48 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 28 50) Finished k-point number 51 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 63) Finished k-point number 64 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.1588248390524 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 57) Finished k-point number 58 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 60) Finished k-point number 61 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970236641043714 0.965354707530872 6) Finished k-point number 7 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 3) Finished k-point number 4 1 with #bands= 28 30) Finished k-point number 31 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 34) Finished k-point number 35 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 37) Finished k-point number 38 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 28 1) Finished k-point number 2 1 with #bands= 32 63) Finished k-point number 64 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 65) Finished k-point number 66 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 66) Finished k-point number 67 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 15) Finished k-point number 16 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 50) Finished k-point number 51 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 51) Finished k-point number 52 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1588248390524 Density= 18.9951391539740 EF 12.4309386711660 Density= 20.0301313871873 Brent's Method Step XA XB F(XA) F(XB) 0 0.91365722 0.89365722 1.03013 -0.486085E-02 1 0.90365722 0.89365724 0.469056 -0.486084E-02 2 0.89865723 0.89365747 0.221595 -0.486085E-02 3 0.89615735 0.89365759 0.104846 -0.486084E-02 4 0.89490747 0.89365729 0.488933E-01 -0.486085E-02 5 0.89428238 0.89365768 0.217112E-01 -0.486085E-02 6 0.89397003 0.89365725 0.835479E-02 -0.486085E-02 7 0.89381364 0.89365723 0.172706E-02 -0.486085E-02 8 0.89377273 0.89381364 -0.116983E-06 0.172706E-02 9 0.89377273 0.89381364 -0.952660E-10 0.172706E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0015715554 EF set to : 12.1603963944 new EF (no-mixing): 12.1603963944 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.62424347401391 eV Ratio to renormalize= 1.00000000041519 nargs= 1 argi=dmft2.def Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 2) Finished k-point number 3 1 with #bands= 30 Found EF.dat and EF is 12.1603963944397 sumw= 1728.00000000000 8) Finished k-point number 9 1 with #bands= 30 beta....= 99.9999999999998 n0_om...= 201 4) Finished k-point number 5 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 12) Finished k-point number 13 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 32 1) Finished k-point number 2 1 with #bands= 32 10) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 13) Finished k-point number 14 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 15) Finished k-point number 16 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 30 22) Finished k-point number 23 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 30) Finished k-point number 31 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 28 39) Finished k-point number 40 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 26 42) Finished k-point number 43 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 41) Finished k-point number 42 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 30 45) Finished k-point number 46 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 68) Finished k-point number 69 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970081997667529 0.965275568929076 6) Finished k-point number 7 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 36) Finished k-point number 37 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 28 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 32) Finished k-point number 33 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 28 16) Finished k-point number 17 1 with #bands= 28 38) Finished k-point number 39 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 30) Finished k-point number 31 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 32 18) Finished k-point number 19 1 with #bands= 30 19) Finished k-point number 20 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 28 44) Finished k-point number 45 1 with #bands= 28 17) Finished k-point number 18 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 30 52) Finished k-point number 53 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 68) Finished k-point number 69 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1603963944397 Density= 18.9945491511532 EF 12.4325102265533 Density= 20.0229389867255 Brent's Method Step XA XB F(XA) F(XB) 0 0.91377273 0.89377273 1.02294 -0.545085E-02 1 0.90377273 0.89377275 0.464240 -0.545085E-02 2 0.89877274 0.89377298 0.218961 -0.545085E-02 3 0.89627286 0.89377262 0.103270 -0.545085E-02 4 0.89502274 0.89377280 0.478131E-01 -0.545085E-02 5 0.89439777 0.89377295 0.208802E-01 -0.545085E-02 6 0.89408536 0.89377264 0.764032E-02 -0.545085E-02 7 0.89392900 0.89377303 0.107262E-02 -0.545085E-02 8 0.89390343 0.89377303 0.229995E-05 -0.545085E-02 9 0.89390337 0.89377303 0.866859E-09 -0.545085E-02 10 0.89390337 0.89390337 -0.331640E-08 0.866859E-09 11 0.89390337 0.89390337 -0.331640E-08 0.866859E-09 Absolute convergence of the X interval. Difference in EF= 0.0017774699 EF set to : 12.1621738643 new EF (no-mixing): 12.1621738643 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.46149130738032 eV Ratio to renormalize= 1.00000000058702 nargs= 1 argi=dmft2.def 16) Finished k-point number 17 1 with #bands= 28 19) Finished k-point number 20 1 with #bands= 30 17) Finished k-point number 18 1 with #bands= 32 12) Finished k-point number 13 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 26) Finished k-point number 27 1 with #bands= 28 25) Finished k-point number 26 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 30) Finished k-point number 31 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 30 13) Finished k-point number 14 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 30 34) Finished k-point number 35 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 32 21) Finished k-point number 22 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 30 20) Finished k-point number 21 1 with #bands= 28 9) Finished k-point number 10 1 with #bands= 28 47) Finished k-point number 48 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 43) Finished k-point number 44 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 41) Finished k-point number 42 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 61) Finished k-point number 62 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 28 60) Finished k-point number 61 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 24 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.1621738643355 sumw= 1728.00000000000 beta....= 99.9999999999998 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 32 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.970081326600755 0.965156270571382 4) Finished k-point number 5 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 28 21) Finished k-point number 22 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 28) Finished k-point number 29 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 30 6) Finished k-point number 7 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 5) Finished k-point number 6 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 28 35) Finished k-point number 36 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 30 23) Finished k-point number 24 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 32 2) Finished k-point number 3 1 with #bands= 30 61) Finished k-point number 62 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 28 7) Finished k-point number 8 1 with #bands= 32 52) Finished k-point number 53 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 30 46) Finished k-point number 47 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 50) Finished k-point number 51 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 44) Finished k-point number 45 1 with #bands= 28 58) Finished k-point number 59 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 45) Finished k-point number 46 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 28 37) Finished k-point number 38 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1621738643355 Density= 18.9898522405411 EF 12.4342876964491 Density= 20.0340981087935 Brent's Method Step XA XB F(XA) F(XB) 0 0.91390337 0.89390337 1.03410 -0.101478E-01 1 0.90390337 0.89390339 0.463009 -0.101478E-01 2 0.89890338 0.89390362 0.216421 -0.101478E-01 3 0.89640350 0.89390327 0.996326E-01 -0.101478E-01 4 0.89515338 0.89390344 0.436008E-01 -0.101478E-01 5 0.89452841 0.89390359 0.164087E-01 -0.101478E-01 6 0.89421600 0.89390328 0.305121E-02 -0.101478E-01 7 0.89414404 0.89421600 -0.223080E-05 0.305121E-02 8 0.89414409 0.89421600 -0.327381E-08 0.305121E-02 9 0.89414409 0.89414409 0.962935E-09 -0.327381E-08 10 0.89414409 0.89414409 -0.327381E-08 0.962935E-09 11 0.89414409 0.89414409 -0.327381E-08 0.962935E-09 Absolute convergence of the X interval. Difference in EF= 0.0032751537 EF set to : 12.1654490180 new EF (no-mixing): 12.1654490180 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.45261785651838 eV Ratio to renormalize= 1.00000000057819 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 28 7) Finished k-point number 8 1 with #bands= 32 Emin,Emax= 0.5509081089 1.4328919197 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 12.1654490180141 13) Finished k-point number 14 1 with #bands= 24 sumw= 1728.00000000000 12) Finished k-point number 13 1 with #bands= 24 beta....= 99.9999999999998 n0_om...= 201 8) Finished k-point number 9 1 with #bands= 30 14) Finished k-point number 15 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 28 2) Finished k-point number 3 1 with #bands= 30 1) Finished k-point number 2 1 with #bands= 32 24) Finished k-point number 25 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 28) Finished k-point number 29 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 32 17) Finished k-point number 18 1 with #bands= 32 27) Finished k-point number 28 1 with #bands= 30 10) Finished k-point number 11 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 28 18) Finished k-point number 19 1 with #bands= 30 37) Finished k-point number 38 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 30 25) Finished k-point number 26 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 26 38) Finished k-point number 39 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 28 42) Finished k-point number 43 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 45) Finished k-point number 46 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 26 63) Finished k-point number 64 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.969925008187278 0.965047877392466 40) Finished k-point number 41 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 28 34) Finished k-point number 35 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 28 37) Finished k-point number 38 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 28 46) Finished k-point number 47 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 28 0) Finished k-point number 1 1 with #bands= 32 19) Finished k-point number 20 1 with #bands= 30 63) Finished k-point number 64 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 30 59) Finished k-point number 60 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 30 49) Finished k-point number 50 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 30 64) Finished k-point number 65 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 28 67) Finished k-point number 68 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 32 68) Finished k-point number 69 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 26 69) Finished k-point number 70 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 30 48) Finished k-point number 49 1 with #bands= 28 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 32 43) Finished k-point number 44 1 with #bands= 30 7) Finished k-point number 8 1 with #bands= 32 Data-size pr_processor[MBy]= 0.2441406 Total datasize is[MBy]= 29.29688 max_nbands= 32 nomega= 500 pr_proc= 1 nprocs= 120 EF 12.1654490180141 Density= 18.9967592110241 EF 12.4375628501277 Density= 20.0524861533403 Brent's Method Step XA XB F(XA) F(XB) 0 0.91414409 0.89414409 1.05249 -0.324079E-02 1 0.90414409 0.89414411 0.474038 -0.324079E-02 2 0.89914410 0.89414434 0.225517 -0.324079E-02 3 0.89664422 0.89414446 0.107459 -0.324079E-02 4 0.89539434 0.89414416 0.509002E-01 -0.324079E-02 5 0.89476925 0.89414407 0.234886E-01 -0.324079E-02 6 0.89445666 0.89414412 0.100334E-01 -0.324079E-02 7 0.89430039 0.89414433 0.337379E-02 -0.324079E-02 8 0.89422236 0.89414446 0.658232E-04 -0.324079E-02 9 0.89422081 0.89414446 0.213485E-06 -0.324079E-02 10 0.89422081 0.89414446 0.206981E-10 -0.324079E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0010437752 EF set to : 12.1664927932 new EF (no-mixing): 12.1664927932 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 73 22) Finished k-point 23 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 6) Finished k-point 7 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 30 5) Finished k-point 6 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 13) Finished k-point 14 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 36) Finished k-point 37 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 11) Finished k-point 12 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 42) Finished k-point 43 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 21) Finished k-point 22 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 24) Finished k-point 25 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 23) Finished k-point 24 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 29) Finished k-point 30 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 33) Finished k-point 34 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 52) Finished k-point 53 1 with nemin= 1 nemax= 34 DM_nemin= 13 DM_nemax= 34 DM_nemaxx 34 28) Finished k-point 29 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 30) Finished k-point 31 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 31) Finished k-point 32 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 34) Finished k-point 35 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 35) Finished k-point 36 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 37) Finished k-point 38 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 60) Finished k-point 61 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 39) Finished k-point 40 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 38) Finished k-point 39 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 61) Finished k-point 62 1 with nemin= 1 nemax= 32 DM_nemin= 11 DM_nemax= 32 DM_nemaxx 32 45) Finished k-point 46 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 46) Finished k-point 47 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 15) Finished k-point 16 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 10) Finished k-point 11 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 36 DM_nemin= 13 DM_nemax= 36 DM_nemaxx 36 51) Finished k-point 52 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 50) Finished k-point 51 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 25) Finished k-point 26 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 26) Finished k-point 27 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 56) Finished k-point 57 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 58) Finished k-point 59 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 57) Finished k-point 58 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 32) Finished k-point 33 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 64) Finished k-point 65 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 65) Finished k-point 66 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 62) Finished k-point 63 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 67) Finished k-point 68 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 3) Finished k-point 4 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 36 68) Finished k-point 69 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 66) Finished k-point 67 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 9) Finished k-point 10 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 71) Finished k-point 72 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 70) Finished k-point 71 1 with nemin= 1 nemax= 34 DM_nemin= 11 DM_nemax= 34 DM_nemaxx 34 49) Finished k-point 50 1 with nemin= 1 nemax= 36 DM_nemin= 11 DM_nemax= 36 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 38 DM_nemin= 13 DM_nemax= 38 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 38 DM_nemin= 11 DM_nemax= 38 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 30 19) Finished k-point 20 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 7) Finished k-point 8 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 40 DM_nemin= 11 DM_nemax= 40 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 42 DM_nemin= 11 DM_nemax= 42 DM_nemaxx 40 Sum of eigenvalues= -7.52329970010692 eV Ratio to renormalize= 1.00000000037533