nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.32506050062963 5) Finished k-point number 6 1 with #bands= 40 8) Finished k-point number 9 1 with #bands= 34 41) Finished k-point number 42 1 with #bands= 38 sumw= 1000.00000000000 76) Finished k-point number 77 1 with #bands= 36 beta....= 49.9999999999999 n0_om...= 201 9) Finished k-point number 10 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 15) Finished k-point number 16 1 with #bands= 38 7) Finished k-point number 8 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 3) Finished k-point number 4 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 2) Finished k-point number 3 1 with #bands= 36 14) Finished k-point number 15 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 63) Finished k-point number 64 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 1) Finished k-point number 2 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 79) Finished k-point number 80 1 with #bands= 40 43) Finished k-point number 44 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 87) Finished k-point number 88 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 38 12) Finished k-point number 13 1 with #bands= 36 38) Finished k-point number 39 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 89) Finished k-point number 90 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 29) Finished k-point number 30 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 91) Finished k-point number 92 1 with #bands= 39 83) Finished k-point number 84 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 25) Finished k-point number 26 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 75) Finished k-point number 76 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 26) Finished k-point number 27 1 with #bands= 37 18) Finished k-point number 19 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 23) Finished k-point number 24 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 73) Finished k-point number 74 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 27) Finished k-point number 28 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 74) Finished k-point number 75 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 88) Finished k-point number 89 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 61) Finished k-point number 62 1 with #bands= 39 95) Finished k-point number 96 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 92) Finished k-point number 93 1 with #bands= 39 66) Finished k-point number 67 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 93) Finished k-point number 94 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 98) Finished k-point number 99 1 with #bands= 38 97) Finished k-point number 98 1 with #bands= 39 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897001339072192 0.793680315844615 0.921915584516333 0.925164475247252 0.926161904641519 18) Finished k-point number 19 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 67) Finished k-point number 68 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 57) Finished k-point number 58 1 with #bands= 40 76) Finished k-point number 77 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 12) Finished k-point number 13 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 38 90) Finished k-point number 91 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 87) Finished k-point number 88 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 34 61) Finished k-point number 62 1 with #bands= 39 19) Finished k-point number 20 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 65) Finished k-point number 66 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 85) Finished k-point number 86 1 with #bands= 36 23) Finished k-point number 24 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 73) Finished k-point number 74 1 with #bands= 37 3) Finished k-point number 4 1 with #bands= 34 82) Finished k-point number 83 1 with #bands= 38 8) Finished k-point number 9 1 with #bands= 34 68) Finished k-point number 69 1 with #bands= 36 51) Finished k-point number 52 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 15) Finished k-point number 16 1 with #bands= 38 89) Finished k-point number 90 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 36 44) Finished k-point number 45 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 62) Finished k-point number 63 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 40) Finished k-point number 41 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 97) Finished k-point number 98 1 with #bands= 39 34) Finished k-point number 35 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 91) Finished k-point number 92 1 with #bands= 39 92) Finished k-point number 93 1 with #bands= 39 37) Finished k-point number 38 1 with #bands= 36 30) Finished k-point number 31 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 77) Finished k-point number 78 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 43) Finished k-point number 44 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 41) Finished k-point number 42 1 with #bands= 38 47) Finished k-point number 48 1 with #bands= 38 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.32506050062963 Density= 62.7983702309578 62.9999999999000 EF 9.59717433274321 Density= 62.9381015962685 62.9999999999000 EF 9.86928816485679 Density= 63.0440677803493 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.72537937 0.70537937 0.440678E-01 -0.618984E-01 1 0.71706204 0.70537937 0.208324E-02 -0.618984E-01 2 0.71666277 0.71706204 -0.126075E-04 0.208324E-02 3 0.71666518 0.71666277 0.159935E-07 -0.126075E-04 4 0.71666517 0.71666277 0.120792E-12 -0.126075E-04 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.425665048809322 cutoff= 2.9999999E-02 Difference in EF= 0.4256650488 EF set to : 9.7507255494 new EF (no-mixing): 9.7507255494 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 94) Finished k-point 95 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 42 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 76) Finished k-point 77 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 51) Finished k-point 52 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 15) Finished k-point 16 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 Sum of eigenvalues= -366.913803932150 eV Ratio to renormalize= 0.999992590495235 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.75072554943895 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 2) Finished k-point number 3 1 with #bands= 36 5) Finished k-point number 6 1 with #bands= 40 41) Finished k-point number 42 1 with #bands= 38 8) Finished k-point number 9 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 4) Finished k-point number 5 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 7) Finished k-point number 8 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 42) Finished k-point number 43 1 with #bands= 36 9) Finished k-point number 10 1 with #bands= 34 40) Finished k-point number 41 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 3) Finished k-point number 4 1 with #bands= 34 22) Finished k-point number 23 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 96) Finished k-point number 97 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 44) Finished k-point number 45 1 with #bands= 34 52) Finished k-point number 53 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 48) Finished k-point number 49 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 54) Finished k-point number 55 1 with #bands= 40 30) Finished k-point number 31 1 with #bands= 36 17) Finished k-point number 18 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 76) Finished k-point number 77 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 56) Finished k-point number 57 1 with #bands= 33 19) Finished k-point number 20 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 55) Finished k-point number 56 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 38 78) Finished k-point number 79 1 with #bands= 33 51) Finished k-point number 52 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 38 18) Finished k-point number 19 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 31) Finished k-point number 32 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 23) Finished k-point number 24 1 with #bands= 36 26) Finished k-point number 27 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 34 62) Finished k-point number 63 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 29) Finished k-point number 30 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 93) Finished k-point number 94 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 53) Finished k-point number 54 1 with #bands= 33 27) Finished k-point number 28 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 84) Finished k-point number 85 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 91) Finished k-point number 92 1 with #bands= 39 89) Finished k-point number 90 1 with #bands= 36 66) Finished k-point number 67 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 37 74) Finished k-point number 75 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 77) Finished k-point number 78 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896945015659566 0.782572466059786 0.922069934997578 0.925312756550574 0.926299432392483 96) Finished k-point number 97 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 29 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 9) Finished k-point number 10 1 with #bands= 34 75) Finished k-point number 76 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 38) Finished k-point number 39 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 45) Finished k-point number 46 1 with #bands= 34 31) Finished k-point number 32 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 36 18) Finished k-point number 19 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 76) Finished k-point number 77 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 22) Finished k-point number 23 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 72) Finished k-point number 73 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 98) Finished k-point number 99 1 with #bands= 38 23) Finished k-point number 24 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 21) Finished k-point number 22 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 58) Finished k-point number 59 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 15) Finished k-point number 16 1 with #bands= 38 51) Finished k-point number 52 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 5) Finished k-point number 6 1 with #bands= 40 85) Finished k-point number 86 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 46) Finished k-point number 47 1 with #bands= 40 41) Finished k-point number 42 1 with #bands= 38 82) Finished k-point number 83 1 with #bands= 38 89) Finished k-point number 90 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 16) Finished k-point number 17 1 with #bands= 39 54) Finished k-point number 55 1 with #bands= 40 90) Finished k-point number 91 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 57) Finished k-point number 58 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 91) Finished k-point number 92 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 43) Finished k-point number 44 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.75072554943895 Density= 62.9479981464114 62.9999999999000 EF 10.0228393815525 Density= 63.0206947955134 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.73666517 0.71666517 0.206948E-01 -0.520019E-01 1 0.73097171 0.71666517 0.525652E-03 -0.520019E-01 2 0.73082481 0.73097171 -0.115968E-06 0.525652E-03 3 0.73082484 0.73082481 0.303046E-10 -0.115968E-06 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.192652062389158 cutoff= 2.9999999E-02 Difference in EF= 0.1926520624 EF set to : 9.9433776118 new EF (no-mixing): 9.9433776118 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 48) Finished k-point 49 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 40 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 76) Finished k-point 77 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 94) Finished k-point 95 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 42 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 42 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 Sum of eigenvalues= -366.938906632383 eV Ratio to renormalize= 0.999983356186870 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.94337761182811 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 6) Finished k-point number 7 1 with #bands= 38 7) Finished k-point number 8 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 2) Finished k-point number 3 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 20) Finished k-point number 21 1 with #bands= 37 3) Finished k-point number 4 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 55) Finished k-point number 56 1 with #bands= 36 11) Finished k-point number 12 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 38 72) Finished k-point number 73 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 44) Finished k-point number 45 1 with #bands= 34 12) Finished k-point number 13 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 30) Finished k-point number 31 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 28) Finished k-point number 29 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 17) Finished k-point number 18 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 36 26) Finished k-point number 27 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 48) Finished k-point number 49 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 82) Finished k-point number 83 1 with #bands= 38 18) Finished k-point number 19 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 42) Finished k-point number 43 1 with #bands= 36 66) Finished k-point number 67 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 69) Finished k-point number 70 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 38) Finished k-point number 39 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 71) Finished k-point number 72 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 67) Finished k-point number 68 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 68) Finished k-point number 69 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 74) Finished k-point number 75 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 83) Finished k-point number 84 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 80) Finished k-point number 81 1 with #bands= 40 93) Finished k-point number 94 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 76) Finished k-point number 77 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 96) Finished k-point number 97 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 84) Finished k-point number 85 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 86) Finished k-point number 87 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 88) Finished k-point number 89 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 41) Finished k-point number 42 1 with #bands= 38 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897333925259959 0.823592762226001 0.921320116100313 0.924609122077615 0.925801730807974 49) Finished k-point number 50 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 45) Finished k-point number 46 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 44) Finished k-point number 45 1 with #bands= 34 75) Finished k-point number 76 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 34 80) Finished k-point number 81 1 with #bands= 40 9) Finished k-point number 10 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 97) Finished k-point number 98 1 with #bands= 39 96) Finished k-point number 97 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 14) Finished k-point number 15 1 with #bands= 34 74) Finished k-point number 75 1 with #bands= 36 8) Finished k-point number 9 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 36 17) Finished k-point number 18 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 88) Finished k-point number 89 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 12) Finished k-point number 13 1 with #bands= 36 59) Finished k-point number 60 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 1) Finished k-point number 2 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 67) Finished k-point number 68 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 83) Finished k-point number 84 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 6) Finished k-point number 7 1 with #bands= 38 20) Finished k-point number 21 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 84) Finished k-point number 85 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 38 46) Finished k-point number 47 1 with #bands= 40 24) Finished k-point number 25 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 31) Finished k-point number 32 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 36 0) Finished k-point number 1 1 with #bands= 39 73) Finished k-point number 74 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 38 16) Finished k-point number 17 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 89) Finished k-point number 90 1 with #bands= 36 85) Finished k-point number 86 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 93) Finished k-point number 94 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 57) Finished k-point number 58 1 with #bands= 40 40) Finished k-point number 41 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 77) Finished k-point number 78 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 81) Finished k-point number 82 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.94337761182811 Density= 62.9874168719743 62.9999999999000 EF 10.2154914439417 Density= 63.0492750144793 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.75082484 0.73082484 0.492750E-01 -0.125831E-01 1 0.74082484 0.73082486 0.186810E-01 -0.125831E-01 2 0.73582485 0.73082461 0.313332E-02 -0.125831E-01 3 0.73482362 0.73582485 -0.461418E-06 0.313332E-02 4 0.73482377 0.73482362 0.490957E-09 -0.461418E-06 5 0.73482377 0.73482362 0.00000 -0.461418E-06 Absolute convergence of |F(X)|. Difference in EF too large to mix 5.440815136148952E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0544081514 EF set to : 9.9977857632 new EF (no-mixing): 9.9977857632 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 15) Finished k-point 16 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 94) Finished k-point 95 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 42 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 76) Finished k-point 77 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 51) Finished k-point 52 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -365.998646865052 eV Ratio to renormalize= 0.999988885787300 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.99778576318960 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 4) Finished k-point number 5 1 with #bands= 34 5) Finished k-point number 6 1 with #bands= 40 7) Finished k-point number 8 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 6) Finished k-point number 7 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 1) Finished k-point number 2 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 11) Finished k-point number 12 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 16) Finished k-point number 17 1 with #bands= 39 42) Finished k-point number 43 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 38 23) Finished k-point number 24 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 32) Finished k-point number 33 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 28) Finished k-point number 29 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 34 24) Finished k-point number 25 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 34) Finished k-point number 35 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 40) Finished k-point number 41 1 with #bands= 36 38) Finished k-point number 39 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 59) Finished k-point number 60 1 with #bands= 34 53) Finished k-point number 54 1 with #bands= 33 58) Finished k-point number 59 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 52) Finished k-point number 53 1 with #bands= 34 83) Finished k-point number 84 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 66) Finished k-point number 67 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 90) Finished k-point number 91 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 73) Finished k-point number 74 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 74) Finished k-point number 75 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 63) Finished k-point number 64 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 69) Finished k-point number 70 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 64) Finished k-point number 65 1 with #bands= 36 68) Finished k-point number 69 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 87) Finished k-point number 88 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 72) Finished k-point number 73 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897052025395704 0.807767420076814 0.921766467225334 0.925022572805609 0.926104866042537 97) Finished k-point number 98 1 with #bands= 39 98) Finished k-point number 99 1 with #bands= 38 72) Finished k-point number 73 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 59) Finished k-point number 60 1 with #bands= 34 78) Finished k-point number 79 1 with #bands= 33 18) Finished k-point number 19 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 31) Finished k-point number 32 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 39) Finished k-point number 40 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 27) Finished k-point number 28 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 34 87) Finished k-point number 88 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 17) Finished k-point number 18 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 96) Finished k-point number 97 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 25) Finished k-point number 26 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 24) Finished k-point number 25 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 34) Finished k-point number 35 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 36 23) Finished k-point number 24 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 34 20) Finished k-point number 21 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 15) Finished k-point number 16 1 with #bands= 38 68) Finished k-point number 69 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 45) Finished k-point number 46 1 with #bands= 34 89) Finished k-point number 90 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 43) Finished k-point number 44 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 60) Finished k-point number 61 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 91) Finished k-point number 92 1 with #bands= 39 57) Finished k-point number 58 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 38) Finished k-point number 39 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 38 47) Finished k-point number 48 1 with #bands= 38 40) Finished k-point number 41 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 76) Finished k-point number 77 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 46) Finished k-point number 47 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.99778576318960 Density= 62.9971527522828 62.9999999999000 EF 10.2698995953032 Density= 63.0495364865699 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.75482377 0.73482377 0.495365E-01 -0.284725E-02 1 0.74482377 0.73482378 0.235004E-01 -0.284725E-02 2 0.73982377 0.73482401 0.103661E-01 -0.284725E-02 3 0.73732389 0.73482414 0.376976E-02 -0.284725E-02 4 0.73607402 0.73482384 0.464309E-03 -0.284725E-02 5 0.73589859 0.73607402 -0.325936E-07 0.464309E-03 6 0.73589860 0.73589859 0.400036E-11 -0.325936E-07 Absolute convergence of |F(X)|. Difference in EF= 0.0146239048 EF set to : 10.0124096680 new EF (no-mixing): 10.0124096680 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 94) Finished k-point 95 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 Sum of eigenvalues= -366.515182715383 eV Ratio to renormalize= 0.999969049551295 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.0124096680203 1) Finished k-point number 2 1 with #bands= 37 sumw= 1000.00000000000 9) Finished k-point number 10 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 beta....= 49.9999999999999 n0_om...= 201 5) Finished k-point number 6 1 with #bands= 40 2) Finished k-point number 3 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 35 0) Finished k-point number 1 1 with #bands= 39 37) Finished k-point number 38 1 with #bands= 36 7) Finished k-point number 8 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 75) Finished k-point number 76 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 89) Finished k-point number 90 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 39) Finished k-point number 40 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 20) Finished k-point number 21 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 40) Finished k-point number 41 1 with #bands= 36 49) Finished k-point number 50 1 with #bands= 35 93) Finished k-point number 94 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 36 44) Finished k-point number 45 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 81) Finished k-point number 82 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 55) Finished k-point number 56 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 53) Finished k-point number 54 1 with #bands= 34 80) Finished k-point number 81 1 with #bands= 40 52) Finished k-point number 53 1 with #bands= 34 77) Finished k-point number 78 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 84) Finished k-point number 85 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 51) Finished k-point number 52 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 58) Finished k-point number 59 1 with #bands= 36 18) Finished k-point number 19 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 12) Finished k-point number 13 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 14) Finished k-point number 15 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 29) Finished k-point number 30 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 15) Finished k-point number 16 1 with #bands= 38 67) Finished k-point number 68 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 38 96) Finished k-point number 97 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 60) Finished k-point number 61 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 64) Finished k-point number 65 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 69) Finished k-point number 70 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 83) Finished k-point number 84 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897309986085076 0.837154624522535 0.921160009460273 0.924470310484731 0.925701743221470 73) Finished k-point number 74 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 20) Finished k-point number 21 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 75) Finished k-point number 76 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 12) Finished k-point number 13 1 with #bands= 36 9) Finished k-point number 10 1 with #bands= 34 14) Finished k-point number 15 1 with #bands= 34 74) Finished k-point number 75 1 with #bands= 36 17) Finished k-point number 18 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 36 8) Finished k-point number 9 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 19) Finished k-point number 20 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 16) Finished k-point number 17 1 with #bands= 39 21) Finished k-point number 22 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 34 77) Finished k-point number 78 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 23) Finished k-point number 24 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 45) Finished k-point number 46 1 with #bands= 34 15) Finished k-point number 16 1 with #bands= 38 88) Finished k-point number 89 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 26) Finished k-point number 27 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 51) Finished k-point number 52 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 48) Finished k-point number 49 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 32) Finished k-point number 33 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 80) Finished k-point number 81 1 with #bands= 40 65) Finished k-point number 66 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 91) Finished k-point number 92 1 with #bands= 39 57) Finished k-point number 58 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 83) Finished k-point number 84 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 47) Finished k-point number 48 1 with #bands= 38 38) Finished k-point number 39 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 46) Finished k-point number 47 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.0124096680203 Density= 63.0091250469142 62.9999999999000 EF 9.74029583590671 Density= 62.9543226863427 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.73589860 0.71589860 0.912505E-02 -0.456773E-01 1 0.73256844 0.71589860 0.127326E-03 -0.456773E-01 2 0.73252144 0.71589860 0.718137E-08 -0.456773E-01 3 0.73252144 0.71589860 0.00000 -0.456773E-01 Absolute convergence of |F(X)|. Difference in EF too large to mix -4.594862764984051E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0459486276 EF set to : 9.9664610404 new EF (no-mixing): 9.9664610404 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 53) Finished k-point 54 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 94) Finished k-point 95 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 51) Finished k-point 52 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 76) Finished k-point 77 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -365.397660433193 eV Ratio to renormalize= 0.999970331764931 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.96646104037045 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 7) Finished k-point number 8 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 36 0) Finished k-point number 1 1 with #bands= 39 14) Finished k-point number 15 1 with #bands= 34 26) Finished k-point number 27 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 32) Finished k-point number 33 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 30) Finished k-point number 31 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 46) Finished k-point number 47 1 with #bands= 40 40) Finished k-point number 41 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 19) Finished k-point number 20 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 3) Finished k-point number 4 1 with #bands= 34 76) Finished k-point number 77 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 5) Finished k-point number 6 1 with #bands= 40 64) Finished k-point number 65 1 with #bands= 36 37) Finished k-point number 38 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 22) Finished k-point number 23 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 18) Finished k-point number 19 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 38 61) Finished k-point number 62 1 with #bands= 39 34) Finished k-point number 35 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 29) Finished k-point number 30 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 38 90) Finished k-point number 91 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 24) Finished k-point number 25 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 27) Finished k-point number 28 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 23) Finished k-point number 24 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 38 88) Finished k-point number 89 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 54) Finished k-point number 55 1 with #bands= 40 56) Finished k-point number 57 1 with #bands= 33 53) Finished k-point number 54 1 with #bands= 34 62) Finished k-point number 63 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 36 85) Finished k-point number 86 1 with #bands= 36 91) Finished k-point number 92 1 with #bands= 39 63) Finished k-point number 64 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 70) Finished k-point number 71 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 38 83) Finished k-point number 84 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 36 68) Finished k-point number 69 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 67) Finished k-point number 68 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 38 66) Finished k-point number 67 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 39 87) Finished k-point number 88 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 82) Finished k-point number 83 1 with #bands= 38 80) Finished k-point number 81 1 with #bands= 40 79) Finished k-point number 80 1 with #bands= 40 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897665974313124 0.843154465362771 0.920401664695983 0.923799813215740 0.925057809556417 3) Finished k-point number 4 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 96) Finished k-point number 97 1 with #bands= 38 8) Finished k-point number 9 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 12) Finished k-point number 13 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 36 11) Finished k-point number 12 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 48) Finished k-point number 49 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 38 4) Finished k-point number 5 1 with #bands= 34 78) Finished k-point number 79 1 with #bands= 33 29) Finished k-point number 30 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 38 69) Finished k-point number 70 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 36 85) Finished k-point number 86 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 35) Finished k-point number 36 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 36 17) Finished k-point number 18 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 77) Finished k-point number 78 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 34 5) Finished k-point number 6 1 with #bands= 40 19) Finished k-point number 20 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 42) Finished k-point number 43 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 10) Finished k-point number 11 1 with #bands= 40 21) Finished k-point number 22 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 23) Finished k-point number 24 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 83) Finished k-point number 84 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 0) Finished k-point number 1 1 with #bands= 39 51) Finished k-point number 52 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 38 58) Finished k-point number 59 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 27) Finished k-point number 28 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 65) Finished k-point number 66 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 89) Finished k-point number 90 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 57) Finished k-point number 58 1 with #bands= 40 80) Finished k-point number 81 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 91) Finished k-point number 92 1 with #bands= 39 92) Finished k-point number 93 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 38 93) Finished k-point number 94 1 with #bands= 39 37) Finished k-point number 38 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 82) Finished k-point number 83 1 with #bands= 38 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.96646104037045 Density= 63.0084928619571 62.9999999999000 EF 9.69434720825687 Density= 62.9523105522335 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.73252144 0.71252144 0.849286E-02 -0.476894E-01 1 0.72949812 0.71252144 0.166754E-03 -0.476894E-01 2 0.72943778 0.71252144 0.152459E-07 -0.476894E-01 3 0.72943777 0.71252144 0.781597E-13 -0.476894E-01 Absolute convergence of |F(X)|. Difference in EF too large to mix -4.195542939917578E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0419554294 EF set to : 9.9245056110 new EF (no-mixing): 9.9245056110 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 94) Finished k-point 95 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 15) Finished k-point 16 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 23) Finished k-point 24 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 93) Finished k-point 94 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -363.214482774073 eV Ratio to renormalize= 0.999984199358819 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.92450561097128 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 4) Finished k-point number 5 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 7) Finished k-point number 8 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 6) Finished k-point number 7 1 with #bands= 38 10) Finished k-point number 11 1 with #bands= 40 5) Finished k-point number 6 1 with #bands= 40 8) Finished k-point number 9 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 36 11) Finished k-point number 12 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 3) Finished k-point number 4 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 55) Finished k-point number 56 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 90) Finished k-point number 91 1 with #bands= 37 74) Finished k-point number 75 1 with #bands= 36 21) Finished k-point number 22 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 66) Finished k-point number 67 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 35 93) Finished k-point number 94 1 with #bands= 39 52) Finished k-point number 53 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 18) Finished k-point number 19 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 30) Finished k-point number 31 1 with #bands= 36 95) Finished k-point number 96 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 83) Finished k-point number 84 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 47) Finished k-point number 48 1 with #bands= 38 67) Finished k-point number 68 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 23) Finished k-point number 24 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 15) Finished k-point number 16 1 with #bands= 38 36) Finished k-point number 37 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 48) Finished k-point number 49 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 84) Finished k-point number 85 1 with #bands= 38 94) Finished k-point number 95 1 with #bands= 38 51) Finished k-point number 52 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 57) Finished k-point number 58 1 with #bands= 40 91) Finished k-point number 92 1 with #bands= 39 37) Finished k-point number 38 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 88) Finished k-point number 89 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 81) Finished k-point number 82 1 with #bands= 38 76) Finished k-point number 77 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 98) Finished k-point number 99 1 with #bands= 38 39) Finished k-point number 40 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 38 97) Finished k-point number 98 1 with #bands= 39 73) Finished k-point number 74 1 with #bands= 37 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897908787415138 0.862120676212974 0.920326724237090 0.923734493324673 0.925075856914825 59) Finished k-point number 60 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 17) Finished k-point number 18 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 38 12) Finished k-point number 13 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 78) Finished k-point number 79 1 with #bands= 33 56) Finished k-point number 57 1 with #bands= 33 53) Finished k-point number 54 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 49) Finished k-point number 50 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 38 54) Finished k-point number 55 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 71) Finished k-point number 72 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 18) Finished k-point number 19 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 42) Finished k-point number 43 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 8) Finished k-point number 9 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 38 29) Finished k-point number 30 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 36 95) Finished k-point number 96 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 25) Finished k-point number 26 1 with #bands= 36 1) Finished k-point number 2 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 41) Finished k-point number 42 1 with #bands= 38 61) Finished k-point number 62 1 with #bands= 39 30) Finished k-point number 31 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 38 84) Finished k-point number 85 1 with #bands= 38 37) Finished k-point number 38 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 6) Finished k-point number 7 1 with #bands= 38 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 26) Finished k-point number 27 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 38 31) Finished k-point number 32 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 24) Finished k-point number 25 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 93) Finished k-point number 94 1 with #bands= 39 0) Finished k-point number 1 1 with #bands= 39 5) Finished k-point number 6 1 with #bands= 40 16) Finished k-point number 17 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 83) Finished k-point number 84 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.92450561097128 Density= 63.0104802482585 62.9999999999000 EF 9.65239177885769 Density= 62.9431449778600 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.72943777 0.70943777 0.104802E-01 -0.568550E-01 1 0.72632492 0.70943777 0.289304E-03 -0.568550E-01 2 0.72623700 0.72632492 -0.133524E-07 0.289304E-03 3 0.72623700 0.72623700 0.191136E-11 -0.133524E-07 Absolute convergence of |F(X)|. Difference in EF too large to mix -4.354872794023813E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0435487279 EF set to : 9.8809568830 new EF (no-mixing): 9.8809568830 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 53) Finished k-point 54 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 51) Finished k-point 52 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 94) Finished k-point 95 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 93) Finished k-point 94 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 Sum of eigenvalues= -362.986777700612 eV Ratio to renormalize= 0.999983720564639 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.88095688303104 8) Finished k-point number 9 1 with #bands= 35 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 21) Finished k-point number 22 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 11) Finished k-point number 12 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 5) Finished k-point number 6 1 with #bands= 40 1) Finished k-point number 2 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 17) Finished k-point number 18 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 7) Finished k-point number 8 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 46) Finished k-point number 47 1 with #bands= 40 48) Finished k-point number 49 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 38 12) Finished k-point number 13 1 with #bands= 36 18) Finished k-point number 19 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 43) Finished k-point number 44 1 with #bands= 36 91) Finished k-point number 92 1 with #bands= 39 37) Finished k-point number 38 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 54) Finished k-point number 55 1 with #bands= 40 58) Finished k-point number 59 1 with #bands= 36 23) Finished k-point number 24 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 34 62) Finished k-point number 63 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 52) Finished k-point number 53 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 51) Finished k-point number 52 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 35) Finished k-point number 36 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 36) Finished k-point number 37 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 68) Finished k-point number 69 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 85) Finished k-point number 86 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 38 71) Finished k-point number 72 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 70) Finished k-point number 71 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 38 39) Finished k-point number 40 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 38 98) Finished k-point number 99 1 with #bands= 38 93) Finished k-point number 94 1 with #bands= 39 73) Finished k-point number 74 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 72) Finished k-point number 73 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 38 83) Finished k-point number 84 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 38 34) Finished k-point number 35 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 76) Finished k-point number 77 1 with #bands= 36 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897915169892965 0.862212092592292 0.920413550382430 0.923814146843832 0.925099670567664 53) Finished k-point number 54 1 with #bands= 34 48) Finished k-point number 49 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 38) Finished k-point number 39 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 38 44) Finished k-point number 45 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 43) Finished k-point number 44 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 9) Finished k-point number 10 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 36 14) Finished k-point number 15 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 41) Finished k-point number 42 1 with #bands= 38 12) Finished k-point number 13 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 52) Finished k-point number 53 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 36 1) Finished k-point number 2 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 57) Finished k-point number 58 1 with #bands= 40 88) Finished k-point number 89 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 51) Finished k-point number 52 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 38 54) Finished k-point number 55 1 with #bands= 40 5) Finished k-point number 6 1 with #bands= 40 89) Finished k-point number 90 1 with #bands= 36 0) Finished k-point number 1 1 with #bands= 39 75) Finished k-point number 76 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 90) Finished k-point number 91 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 38 39) Finished k-point number 40 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 38 61) Finished k-point number 62 1 with #bands= 39 91) Finished k-point number 92 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 38 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 39 92) Finished k-point number 93 1 with #bands= 39 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 77) Finished k-point number 78 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 80) Finished k-point number 81 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 38 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.88095688303104 Density= 63.0005069685317 62.9999999999000 EF 9.60884305091746 Density= 62.9238822688220 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.72623700 0.70623700 0.506969E-03 -0.761177E-01 1 0.72610468 0.70623700 0.185152E-04 -0.761177E-01 2 0.72609966 0.72610468 -0.374527E-10 0.185152E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0018686029 EF set to : 9.8790882802 new EF (no-mixing): 9.8790882802 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 23) Finished k-point 24 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 94) Finished k-point 95 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 51) Finished k-point 52 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 42 93) Finished k-point 94 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 Sum of eigenvalues= -363.157736067520 eV Ratio to renormalize= 0.999966018416683 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.87908828015410 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 5) Finished k-point number 6 1 with #bands= 40 8) Finished k-point number 9 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 3) Finished k-point number 4 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 40) Finished k-point number 41 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 2) Finished k-point number 3 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 37) Finished k-point number 38 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 13 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 38 36) Finished k-point number 37 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 20) Finished k-point number 21 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 28) Finished k-point number 29 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 37 18) Finished k-point number 19 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 91) Finished k-point number 92 1 with #bands= 39 74) Finished k-point number 75 1 with #bands= 36 68) Finished k-point number 69 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 72) Finished k-point number 73 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 48) Finished k-point number 49 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 31) Finished k-point number 32 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 55) Finished k-point number 56 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 38 46) Finished k-point number 47 1 with #bands= 40 56) Finished k-point number 57 1 with #bands= 33 35) Finished k-point number 36 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 97) Finished k-point number 98 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 33) Finished k-point number 34 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 38 26) Finished k-point number 27 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 89) Finished k-point number 90 1 with #bands= 36 67) Finished k-point number 68 1 with #bands= 35 80) Finished k-point number 81 1 with #bands= 40 98) Finished k-point number 99 1 with #bands= 38 60) Finished k-point number 61 1 with #bands= 38 78) Finished k-point number 79 1 with #bands= 33 66) Finished k-point number 67 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 38 70) Finished k-point number 71 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 87) Finished k-point number 88 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 38 86) Finished k-point number 87 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897551952529806 0.833151765980820 0.921979076659519 0.925224544823559 0.926879467685490 96) Finished k-point number 97 1 with #bands= 38 4) Finished k-point number 5 1 with #bands= 34 91) Finished k-point number 92 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 38 84) Finished k-point number 85 1 with #bands= 38 78) Finished k-point number 79 1 with #bands= 33 95) Finished k-point number 96 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 53) Finished k-point number 54 1 with #bands= 33 85) Finished k-point number 86 1 with #bands= 36 87) Finished k-point number 88 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 22) Finished k-point number 23 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 25) Finished k-point number 26 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 36 2) Finished k-point number 3 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 21) Finished k-point number 22 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 23) Finished k-point number 24 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 38 77) Finished k-point number 78 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 7) Finished k-point number 8 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 48) Finished k-point number 49 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 36 26) Finished k-point number 27 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 27) Finished k-point number 28 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 37) Finished k-point number 38 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 10) Finished k-point number 11 1 with #bands= 40 66) Finished k-point number 67 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 18) Finished k-point number 19 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 62) Finished k-point number 63 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 86) Finished k-point number 87 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 60) Finished k-point number 61 1 with #bands= 38 44) Finished k-point number 45 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 93) Finished k-point number 94 1 with #bands= 38 57) Finished k-point number 58 1 with #bands= 40 40) Finished k-point number 41 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 16) Finished k-point number 17 1 with #bands= 39 43) Finished k-point number 44 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 38 83) Finished k-point number 84 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 46) Finished k-point number 47 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.87908828015410 Density= 63.0106276989286 62.9999999999000 EF 9.60697444804052 Density= 62.9347221025696 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.72609966 0.70609966 0.106277E-01 -0.652779E-01 1 0.72329942 0.70609966 0.344335E-03 -0.652779E-01 2 0.72320615 0.72329942 -0.142528E-07 0.344335E-03 3 0.72320615 0.72320615 0.247269E-11 -0.142528E-07 Absolute convergence of |F(X)|. Difference in EF too large to mix -3.936821220544810E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0393682122 EF set to : 9.8397200679 new EF (no-mixing): 9.8397200679 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 15) Finished k-point 16 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 94) Finished k-point 95 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 42 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 Sum of eigenvalues= -366.116054551941 eV Ratio to renormalize= 0.999991799047353 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.83972006794866 10) Finished k-point number 11 1 with #bands= 40 sumw= 1000.00000000000 9) Finished k-point number 10 1 with #bands= 34 beta....= 49.9999999999999 n0_om...= 201 6) Finished k-point number 7 1 with #bands= 38 5) Finished k-point number 6 1 with #bands= 40 3) Finished k-point number 4 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 45) Finished k-point number 46 1 with #bands= 34 44) Finished k-point number 45 1 with #bands= 34 42) Finished k-point number 43 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 39) Finished k-point number 40 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 7) Finished k-point number 8 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 38 12) Finished k-point number 13 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 14) Finished k-point number 15 1 with #bands= 34 46) Finished k-point number 47 1 with #bands= 40 17) Finished k-point number 18 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 32) Finished k-point number 33 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 63) Finished k-point number 64 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 38) Finished k-point number 39 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 38 29) Finished k-point number 30 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 88) Finished k-point number 89 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 60) Finished k-point number 61 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 83) Finished k-point number 84 1 with #bands= 37 89) Finished k-point number 90 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 47) Finished k-point number 48 1 with #bands= 38 76) Finished k-point number 77 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 91) Finished k-point number 92 1 with #bands= 39 90) Finished k-point number 91 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 84) Finished k-point number 85 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 87) Finished k-point number 88 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 94) Finished k-point number 95 1 with #bands= 38 96) Finished k-point number 97 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 82) Finished k-point number 83 1 with #bands= 38 49) Finished k-point number 50 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 55) Finished k-point number 56 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 52) Finished k-point number 53 1 with #bands= 34 51) Finished k-point number 52 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 58) Finished k-point number 59 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896953585139047 0.772856488318311 0.922802075046306 0.925981756310085 0.927365379167817 36) Finished k-point number 37 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 40) Finished k-point number 41 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 61) Finished k-point number 62 1 with #bands= 39 39) Finished k-point number 40 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 43) Finished k-point number 44 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 77) Finished k-point number 78 1 with #bands= 36 2) Finished k-point number 3 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 25) Finished k-point number 26 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 33) Finished k-point number 34 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 36 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 30) Finished k-point number 31 1 with #bands= 36 48) Finished k-point number 49 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 51) Finished k-point number 52 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 13) Finished k-point number 14 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 62) Finished k-point number 63 1 with #bands= 37 89) Finished k-point number 90 1 with #bands= 36 12) Finished k-point number 13 1 with #bands= 36 85) Finished k-point number 86 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 23) Finished k-point number 24 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 74) Finished k-point number 75 1 with #bands= 36 21) Finished k-point number 22 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 20) Finished k-point number 21 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 84) Finished k-point number 85 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 38 57) Finished k-point number 58 1 with #bands= 40 93) Finished k-point number 94 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 92) Finished k-point number 93 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 38 75) Finished k-point number 76 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 45) Finished k-point number 46 1 with #bands= 34 82) Finished k-point number 83 1 with #bands= 38 80) Finished k-point number 81 1 with #bands= 40 41) Finished k-point number 42 1 with #bands= 38 81) Finished k-point number 82 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.83972006794866 Density= 62.9927792789646 62.9999999999000 EF 10.1118339000622 Density= 63.0475470453029 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.74320615 0.72320615 0.475470E-01 -0.722072E-02 1 0.73320615 0.72320617 0.204050E-01 -0.722072E-02 2 0.72820616 0.72320640 0.665554E-02 -0.722072E-02 3 0.72580232 0.72320640 0.612599E-06 -0.722072E-02 4 0.72580210 0.72320640 0.186162E-10 -0.722072E-02 Absolute convergence of |F(X)|. Difference in EF too large to mix 3.531963740287870E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0353196374 EF set to : 9.8750397054 new EF (no-mixing): 9.8750397054 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 51) Finished k-point 52 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 76) Finished k-point 77 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 15) Finished k-point 16 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 94) Finished k-point 95 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 42 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 Sum of eigenvalues= -367.900325327931 eV Ratio to renormalize= 0.999984834482872 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.87503970535153 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 11) Finished k-point number 12 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 36) Finished k-point number 37 1 with #bands= 36 17) Finished k-point number 18 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 34 5) Finished k-point number 6 1 with #bands= 40 2) Finished k-point number 3 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 8) Finished k-point number 9 1 with #bands= 34 28) Finished k-point number 29 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 27) Finished k-point number 28 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 12) Finished k-point number 13 1 with #bands= 36 9) Finished k-point number 10 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 38) Finished k-point number 39 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 24) Finished k-point number 25 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 82) Finished k-point number 83 1 with #bands= 38 46) Finished k-point number 47 1 with #bands= 40 15) Finished k-point number 16 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 19) Finished k-point number 20 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 62) Finished k-point number 63 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 13) Finished k-point number 14 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 84) Finished k-point number 85 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 91) Finished k-point number 92 1 with #bands= 39 43) Finished k-point number 44 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 35) Finished k-point number 36 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 45) Finished k-point number 46 1 with #bands= 34 57) Finished k-point number 58 1 with #bands= 40 70) Finished k-point number 71 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 93) Finished k-point number 94 1 with #bands= 38 30) Finished k-point number 31 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 71) Finished k-point number 72 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 56) Finished k-point number 57 1 with #bands= 33 61) Finished k-point number 62 1 with #bands= 39 60) Finished k-point number 61 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 80) Finished k-point number 81 1 with #bands= 40 89) Finished k-point number 90 1 with #bands= 36 66) Finished k-point number 67 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 87) Finished k-point number 88 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 75) Finished k-point number 76 1 with #bands= 35 83) Finished k-point number 84 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 96) Finished k-point number 97 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896675046117607 0.742280063256788 0.923902407225731 0.926969741082374 0.928577218105381 53) Finished k-point number 54 1 with #bands= 33 40) Finished k-point number 41 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 69) Finished k-point number 70 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 4) Finished k-point number 5 1 with #bands= 34 75) Finished k-point number 76 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 3) Finished k-point number 4 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 12) Finished k-point number 13 1 with #bands= 36 23) Finished k-point number 24 1 with #bands= 36 14) Finished k-point number 15 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 2) Finished k-point number 3 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 34 15) Finished k-point number 16 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 20) Finished k-point number 21 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 33) Finished k-point number 34 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 52) Finished k-point number 53 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 16) Finished k-point number 17 1 with #bands= 39 37) Finished k-point number 38 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 55) Finished k-point number 56 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 82) Finished k-point number 83 1 with #bands= 38 31) Finished k-point number 32 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 73) Finished k-point number 74 1 with #bands= 36 85) Finished k-point number 86 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 46) Finished k-point number 47 1 with #bands= 40 96) Finished k-point number 97 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 21) Finished k-point number 22 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 86) Finished k-point number 87 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 95) Finished k-point number 96 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 84) Finished k-point number 85 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 94) Finished k-point number 95 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 93) Finished k-point number 94 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 80) Finished k-point number 81 1 with #bands= 40 79) Finished k-point number 80 1 with #bands= 40 39) Finished k-point number 40 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 37 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.87503970535153 Density= 62.9926228580894 62.9999999999000 EF 10.1471535374651 Density= 63.0392894012761 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.74580210 0.72580210 0.392894E-01 -0.737714E-02 1 0.73580210 0.72580211 0.160263E-01 -0.737714E-02 2 0.73080211 0.72580234 0.434283E-02 -0.737714E-02 3 0.72894762 0.72580234 0.320399E-06 -0.737714E-02 4 0.72894748 0.72580234 0.124558E-10 -0.737714E-02 Absolute convergence of |F(X)|. Difference in EF too large to mix 4.279514329777868E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0427951433 EF set to : 9.9178348486 new EF (no-mixing): 9.9178348486 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 39 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 Sum of eigenvalues= -370.208614989392 eV Ratio to renormalize= 0.999958446628912 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.91783484864931 2) Finished k-point number 3 1 with #bands= 35 sumw= 1000.00000000000 8) Finished k-point number 9 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 beta....= 49.9999999999999 n0_om...= 201 19) Finished k-point number 20 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 7) Finished k-point number 8 1 with #bands= 37 3) Finished k-point number 4 1 with #bands= 34 54) Finished k-point number 55 1 with #bands= 40 11) Finished k-point number 12 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 5) Finished k-point number 6 1 with #bands= 40 42) Finished k-point number 43 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 43) Finished k-point number 44 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 46) Finished k-point number 47 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 51) Finished k-point number 52 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 85) Finished k-point number 86 1 with #bands= 36 44) Finished k-point number 45 1 with #bands= 34 14) Finished k-point number 15 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 20) Finished k-point number 21 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 37) Finished k-point number 38 1 with #bands= 36 23) Finished k-point number 24 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 34) Finished k-point number 35 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 25) Finished k-point number 26 1 with #bands= 35 91) Finished k-point number 92 1 with #bands= 39 17) Finished k-point number 18 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 89) Finished k-point number 90 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 27) Finished k-point number 28 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 71) Finished k-point number 72 1 with #bands= 35 93) Finished k-point number 94 1 with #bands= 38 45) Finished k-point number 46 1 with #bands= 34 83) Finished k-point number 84 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 73) Finished k-point number 74 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 86) Finished k-point number 87 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 96) Finished k-point number 97 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 50) Finished k-point number 51 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 87) Finished k-point number 88 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 52) Finished k-point number 53 1 with #bands= 34 67) Finished k-point number 68 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 61) Finished k-point number 62 1 with #bands= 39 88) Finished k-point number 89 1 with #bands= 35 80) Finished k-point number 81 1 with #bands= 40 36) Finished k-point number 37 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896692620008903 0.742689134109514 0.923792933673880 0.926870233911463 0.928505061040763 18) Finished k-point number 19 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 49) Finished k-point number 50 1 with #bands= 34 15) Finished k-point number 16 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 97) Finished k-point number 98 1 with #bands= 39 13) Finished k-point number 14 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 3) Finished k-point number 4 1 with #bands= 34 4) Finished k-point number 5 1 with #bands= 34 14) Finished k-point number 15 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 29) Finished k-point number 30 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 20) Finished k-point number 21 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 7) Finished k-point number 8 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 44) Finished k-point number 45 1 with #bands= 34 67) Finished k-point number 68 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 32) Finished k-point number 33 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 26) Finished k-point number 27 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 1) Finished k-point number 2 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 51) Finished k-point number 52 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 78) Finished k-point number 79 1 with #bands= 33 60) Finished k-point number 61 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 85) Finished k-point number 86 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 34) Finished k-point number 35 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 89) Finished k-point number 90 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 90) Finished k-point number 91 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 28) Finished k-point number 29 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 92) Finished k-point number 93 1 with #bands= 39 74) Finished k-point number 75 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 77) Finished k-point number 78 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 37) Finished k-point number 38 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 75) Finished k-point number 76 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 73) Finished k-point number 74 1 with #bands= 36 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.91783484864931 Density= 62.9899788149323 62.9999999999000 EF 10.1899486807629 Density= 63.0342846150863 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.74894748 0.72894748 0.342846E-01 -0.100212E-01 1 0.73894748 0.72894750 0.121655E-01 -0.100212E-01 2 0.73394749 0.72894725 0.108087E-02 -0.100212E-01 3 0.73346033 0.73394749 -0.399668E-07 0.108087E-02 4 0.73346035 0.73346033 0.309086E-11 -0.399668E-07 Absolute convergence of |F(X)|. Difference in EF too large to mix 6.140070412167026E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0614007041 EF set to : 9.9792355528 new EF (no-mixing): 9.9792355528 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 Sum of eigenvalues= -369.931981929698 eV Ratio to renormalize= 0.999988995898674 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.97923555277098 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 3) Finished k-point number 4 1 with #bands= 34 4) Finished k-point number 5 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 2) Finished k-point number 3 1 with #bands= 35 10) Finished k-point number 11 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 14) Finished k-point number 15 1 with #bands= 34 12) Finished k-point number 13 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 36 11) Finished k-point number 12 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 34 5) Finished k-point number 6 1 with #bands= 40 39) Finished k-point number 40 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 9) Finished k-point number 10 1 with #bands= 34 44) Finished k-point number 45 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 73) Finished k-point number 74 1 with #bands= 36 40) Finished k-point number 41 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 25) Finished k-point number 26 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 30) Finished k-point number 31 1 with #bands= 36 75) Finished k-point number 76 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 46) Finished k-point number 47 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 74) Finished k-point number 75 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 43) Finished k-point number 44 1 with #bands= 36 32) Finished k-point number 33 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 69) Finished k-point number 70 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 65) Finished k-point number 66 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 71) Finished k-point number 72 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 67) Finished k-point number 68 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 78) Finished k-point number 79 1 with #bands= 33 93) Finished k-point number 94 1 with #bands= 38 94) Finished k-point number 95 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 85) Finished k-point number 86 1 with #bands= 36 95) Finished k-point number 96 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 50) Finished k-point number 51 1 with #bands= 34 92) Finished k-point number 93 1 with #bands= 39 54) Finished k-point number 55 1 with #bands= 40 91) Finished k-point number 92 1 with #bands= 39 51) Finished k-point number 52 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 81) Finished k-point number 82 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 55) Finished k-point number 56 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896680582408731 0.741973681030839 0.923821311207963 0.926899636568755 0.928544152364394 12) Finished k-point number 13 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 67) Finished k-point number 68 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 68) Finished k-point number 69 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 8) Finished k-point number 9 1 with #bands= 34 22) Finished k-point number 23 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 73) Finished k-point number 74 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 66) Finished k-point number 67 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 49) Finished k-point number 50 1 with #bands= 34 23) Finished k-point number 24 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 61) Finished k-point number 62 1 with #bands= 39 52) Finished k-point number 53 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 26) Finished k-point number 27 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 39) Finished k-point number 40 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 81) Finished k-point number 82 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 16) Finished k-point number 17 1 with #bands= 39 0) Finished k-point number 1 1 with #bands= 39 69) Finished k-point number 70 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 10) Finished k-point number 11 1 with #bands= 40 85) Finished k-point number 86 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 34) Finished k-point number 35 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 90) Finished k-point number 91 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 95) Finished k-point number 96 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 93) Finished k-point number 94 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 82) Finished k-point number 83 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 45) Finished k-point number 46 1 with #bands= 34 41) Finished k-point number 42 1 with #bands= 38 42) Finished k-point number 43 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 46) Finished k-point number 47 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.97923555277098 Density= 62.9956047601151 62.9999999999000 EF 10.2513493848846 Density= 63.0379880856250 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.75346035 0.73346035 0.379881E-01 -0.439524E-02 1 0.74346035 0.73346037 0.168043E-01 -0.439524E-02 2 0.73846036 0.73346012 0.620615E-02 -0.439524E-02 3 0.73596024 0.73346024 0.905580E-03 -0.439524E-02 4 0.73553314 0.73596024 -0.482702E-08 0.905580E-03 5 0.73553314 0.73553314 0.497380E-13 -0.482702E-08 Absolute convergence of |F(X)|. Difference in EF= 0.0282017478 EF set to : 10.0074373006 new EF (no-mixing): 10.0074373006 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -369.880975121422 eV Ratio to renormalize= 0.999956522828861 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.0074373005527 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 1) Finished k-point number 2 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 6) Finished k-point number 7 1 with #bands= 38 3) Finished k-point number 4 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 14) Finished k-point number 15 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 9) Finished k-point number 10 1 with #bands= 34 47) Finished k-point number 48 1 with #bands= 38 2) Finished k-point number 3 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 40) Finished k-point number 41 1 with #bands= 35 39) Finished k-point number 40 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 12) Finished k-point number 13 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 89) Finished k-point number 90 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 71) Finished k-point number 72 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 68) Finished k-point number 69 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 20) Finished k-point number 21 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 69) Finished k-point number 70 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 51) Finished k-point number 52 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 26) Finished k-point number 27 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 92) Finished k-point number 93 1 with #bands= 39 64) Finished k-point number 65 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 58) Finished k-point number 59 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 32) Finished k-point number 33 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 91) Finished k-point number 92 1 with #bands= 39 55) Finished k-point number 56 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 63) Finished k-point number 64 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 74) Finished k-point number 75 1 with #bands= 36 70) Finished k-point number 71 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 93) Finished k-point number 94 1 with #bands= 38 67) Finished k-point number 68 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 60) Finished k-point number 61 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 87) Finished k-point number 88 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 30) Finished k-point number 31 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 31) Finished k-point number 32 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896717103892619 0.741672265071662 0.923752789221599 0.926836837614620 0.928529215936511 71) Finished k-point number 72 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 96) Finished k-point number 97 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 19) Finished k-point number 20 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 85) Finished k-point number 86 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 48) Finished k-point number 49 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 67) Finished k-point number 68 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 37) Finished k-point number 38 1 with #bands= 36 70) Finished k-point number 71 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 14) Finished k-point number 15 1 with #bands= 34 47) Finished k-point number 48 1 with #bands= 38 4) Finished k-point number 5 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 12) Finished k-point number 13 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 65) Finished k-point number 66 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 21) Finished k-point number 22 1 with #bands= 37 89) Finished k-point number 90 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 46) Finished k-point number 47 1 with #bands= 40 97) Finished k-point number 98 1 with #bands= 39 52) Finished k-point number 53 1 with #bands= 34 90) Finished k-point number 91 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 24) Finished k-point number 25 1 with #bands= 36 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 35) Finished k-point number 36 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 27) Finished k-point number 28 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 6) Finished k-point number 7 1 with #bands= 38 28) Finished k-point number 29 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 92) Finished k-point number 93 1 with #bands= 39 32) Finished k-point number 33 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 5) Finished k-point number 6 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 73) Finished k-point number 74 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 54) Finished k-point number 55 1 with #bands= 40 81) Finished k-point number 82 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 80) Finished k-point number 81 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.0074373005527 Density= 62.9963640358258 62.9999999999000 EF 10.2795511326662 Density= 63.0375537170405 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.75553314 0.73553314 0.375537E-01 -0.363596E-02 1 0.74553314 0.73553316 0.169625E-01 -0.363596E-02 2 0.74053315 0.73553291 0.666305E-02 -0.363596E-02 3 0.73803303 0.73553304 0.151317E-02 -0.363596E-02 4 0.73729840 0.73553304 0.421736E-08 -0.363596E-02 5 0.73729840 0.73729840 -0.284217E-13 0.421736E-08 Absolute convergence of |F(X)|. Difference in EF= 0.0240175096 EF set to : 10.0314548102 new EF (no-mixing): 10.0314548102 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -369.729431393499 eV Ratio to renormalize= 0.999983394962114 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.0314548101862 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 10) Finished k-point number 11 1 with #bands= 40 78) Finished k-point number 79 1 with #bands= 33 11) Finished k-point number 12 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 9) Finished k-point number 10 1 with #bands= 34 46) Finished k-point number 47 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 14) Finished k-point number 15 1 with #bands= 34 47) Finished k-point number 48 1 with #bands= 38 20) Finished k-point number 21 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 45) Finished k-point number 46 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 77) Finished k-point number 78 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 3) Finished k-point number 4 1 with #bands= 34 41) Finished k-point number 42 1 with #bands= 38 2) Finished k-point number 3 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 39) Finished k-point number 40 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 7) Finished k-point number 8 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 81) Finished k-point number 82 1 with #bands= 38 1) Finished k-point number 2 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 82) Finished k-point number 83 1 with #bands= 38 61) Finished k-point number 62 1 with #bands= 39 37) Finished k-point number 38 1 with #bands= 36 75) Finished k-point number 76 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 38) Finished k-point number 39 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 17) Finished k-point number 18 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 18) Finished k-point number 19 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 93) Finished k-point number 94 1 with #bands= 38 57) Finished k-point number 58 1 with #bands= 40 86) Finished k-point number 87 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 27) Finished k-point number 28 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 59) Finished k-point number 60 1 with #bands= 34 91) Finished k-point number 92 1 with #bands= 39 53) Finished k-point number 54 1 with #bands= 33 54) Finished k-point number 55 1 with #bands= 40 60) Finished k-point number 61 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 68) Finished k-point number 69 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 66) Finished k-point number 67 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 97) Finished k-point number 98 1 with #bands= 39 33) Finished k-point number 34 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 51) Finished k-point number 52 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896892800248048 0.743998797802870 0.923625906188194 0.926717785616875 0.928428255399751 70) Finished k-point number 71 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 12) Finished k-point number 13 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 3) Finished k-point number 4 1 with #bands= 34 84) Finished k-point number 85 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 34 67) Finished k-point number 68 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 0) Finished k-point number 1 1 with #bands= 39 60) Finished k-point number 61 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 88) Finished k-point number 89 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 74) Finished k-point number 75 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 39) Finished k-point number 40 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 69) Finished k-point number 70 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 2) Finished k-point number 3 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 97) Finished k-point number 98 1 with #bands= 39 25) Finished k-point number 26 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 85) Finished k-point number 86 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 49) Finished k-point number 50 1 with #bands= 34 78) Finished k-point number 79 1 with #bands= 33 50) Finished k-point number 51 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 61) Finished k-point number 62 1 with #bands= 39 86) Finished k-point number 87 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 59) Finished k-point number 60 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 91) Finished k-point number 92 1 with #bands= 39 30) Finished k-point number 31 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 51) Finished k-point number 52 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 93) Finished k-point number 94 1 with #bands= 38 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 28) Finished k-point number 29 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 73) Finished k-point number 74 1 with #bands= 36 5) Finished k-point number 6 1 with #bands= 40 65) Finished k-point number 66 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 75) Finished k-point number 76 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 57) Finished k-point number 58 1 with #bands= 40 79) Finished k-point number 80 1 with #bands= 40 82) Finished k-point number 83 1 with #bands= 38 80) Finished k-point number 81 1 with #bands= 40 83) Finished k-point number 84 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 38 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.0314548101862 Density= 63.0007637339878 62.9999999999000 EF 9.75934097807263 Density= 62.9600813654901 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.73729840 0.71729840 0.763734E-03 -0.399186E-01 1 0.73692293 0.73729840 -0.942812E-06 0.763734E-03 2 0.73692340 0.73729840 -0.258638E-10 0.763734E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0051021212 EF set to : 10.0263526890 new EF (no-mixing): 10.0263526890 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 Sum of eigenvalues= -369.518743423224 eV Ratio to renormalize= 0.999954183668104 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.0263526890164 10) Finished k-point number 11 1 with #bands= 40 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 4) Finished k-point number 5 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 9) Finished k-point number 10 1 with #bands= 34 44) Finished k-point number 45 1 with #bands= 34 25) Finished k-point number 26 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 1) Finished k-point number 2 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 50) Finished k-point number 51 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 3) Finished k-point number 4 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 52) Finished k-point number 53 1 with #bands= 34 7) Finished k-point number 8 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 20) Finished k-point number 21 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 17) Finished k-point number 18 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 62) Finished k-point number 63 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 12) Finished k-point number 13 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 21) Finished k-point number 22 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 72) Finished k-point number 73 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 67) Finished k-point number 68 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 68) Finished k-point number 69 1 with #bands= 36 27) Finished k-point number 28 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 97) Finished k-point number 98 1 with #bands= 39 56) Finished k-point number 57 1 with #bands= 33 46) Finished k-point number 47 1 with #bands= 40 49) Finished k-point number 50 1 with #bands= 34 35) Finished k-point number 36 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 66) Finished k-point number 67 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 37) Finished k-point number 38 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 79) Finished k-point number 80 1 with #bands= 40 95) Finished k-point number 96 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 98) Finished k-point number 99 1 with #bands= 38 81) Finished k-point number 82 1 with #bands= 38 89) Finished k-point number 90 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 92) Finished k-point number 93 1 with #bands= 39 85) Finished k-point number 86 1 with #bands= 36 93) Finished k-point number 94 1 with #bands= 38 82) Finished k-point number 83 1 with #bands= 38 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896898249940279 0.743465696630782 0.923642000088155 0.926735217537090 0.928461394286824 78) Finished k-point number 79 1 with #bands= 33 53) Finished k-point number 54 1 with #bands= 33 67) Finished k-point number 68 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 22) Finished k-point number 23 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 44) Finished k-point number 45 1 with #bands= 34 23) Finished k-point number 24 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 36) Finished k-point number 37 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 48) Finished k-point number 49 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 70) Finished k-point number 71 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 38 83) Finished k-point number 84 1 with #bands= 37 74) Finished k-point number 75 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 47) Finished k-point number 48 1 with #bands= 38 3) Finished k-point number 4 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 96) Finished k-point number 97 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 65) Finished k-point number 66 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 85) Finished k-point number 86 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 89) Finished k-point number 90 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 90) Finished k-point number 91 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 95) Finished k-point number 96 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 7) Finished k-point number 8 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 84) Finished k-point number 85 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 6) Finished k-point number 7 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 16) Finished k-point number 17 1 with #bands= 39 92) Finished k-point number 93 1 with #bands= 39 5) Finished k-point number 6 1 with #bands= 40 40) Finished k-point number 41 1 with #bands= 35 0) Finished k-point number 1 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 37) Finished k-point number 38 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 46) Finished k-point number 47 1 with #bands= 40 80) Finished k-point number 81 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.0263526890164 Density= 63.0017974972619 62.9999999999000 EF 9.75423885690277 Density= 62.9616147339277 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.73692340 0.71692340 0.179750E-02 -0.383853E-01 1 0.73602874 0.73692340 -0.356214E-05 0.179750E-02 2 0.73603050 0.73692340 -0.615188E-10 0.179750E-02 Absolute convergence of |F(X)|. Difference in EF= -0.0121484056 EF set to : 10.0142042835 new EF (no-mixing): 10.0142042835 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 Sum of eigenvalues= -369.509252946560 eV Ratio to renormalize= 0.999967733300061 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.0142042834657 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 1) Finished k-point number 2 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 11) Finished k-point number 12 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 8) Finished k-point number 9 1 with #bands= 34 4) Finished k-point number 5 1 with #bands= 34 7) Finished k-point number 8 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 9) Finished k-point number 10 1 with #bands= 34 12) Finished k-point number 13 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 20) Finished k-point number 21 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 38 56) Finished k-point number 57 1 with #bands= 33 72) Finished k-point number 73 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 95) Finished k-point number 96 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 57) Finished k-point number 58 1 with #bands= 40 17) Finished k-point number 18 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 89) Finished k-point number 90 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 77) Finished k-point number 78 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 15) Finished k-point number 16 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 30) Finished k-point number 31 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 82) Finished k-point number 83 1 with #bands= 38 21) Finished k-point number 22 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 58) Finished k-point number 59 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 38 48) Finished k-point number 49 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 26) Finished k-point number 27 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 31) Finished k-point number 32 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 42) Finished k-point number 43 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 32) Finished k-point number 33 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 88) Finished k-point number 89 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 87) Finished k-point number 88 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 80) Finished k-point number 81 1 with #bands= 40 91) Finished k-point number 92 1 with #bands= 39 76) Finished k-point number 77 1 with #bands= 35 92) Finished k-point number 93 1 with #bands= 39 60) Finished k-point number 61 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 44) Finished k-point number 45 1 with #bands= 34 39) Finished k-point number 40 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 65) Finished k-point number 66 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 70) Finished k-point number 71 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897059588010104 0.744141004118037 0.923625930396173 0.926721239551061 0.928516759384092 38) Finished k-point number 39 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 71) Finished k-point number 72 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 12) Finished k-point number 13 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 40) Finished k-point number 41 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 45) Finished k-point number 46 1 with #bands= 34 42) Finished k-point number 43 1 with #bands= 36 70) Finished k-point number 71 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 43) Finished k-point number 44 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 67) Finished k-point number 68 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 59) Finished k-point number 60 1 with #bands= 34 64) Finished k-point number 65 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 4) Finished k-point number 5 1 with #bands= 34 60) Finished k-point number 61 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 22) Finished k-point number 23 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 47) Finished k-point number 48 1 with #bands= 38 65) Finished k-point number 66 1 with #bands= 37 18) Finished k-point number 19 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 81) Finished k-point number 82 1 with #bands= 38 98) Finished k-point number 99 1 with #bands= 38 29) Finished k-point number 30 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 97) Finished k-point number 98 1 with #bands= 39 33) Finished k-point number 34 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 38 85) Finished k-point number 86 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 20) Finished k-point number 21 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 7) Finished k-point number 8 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 87) Finished k-point number 88 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 86) Finished k-point number 87 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 24) Finished k-point number 25 1 with #bands= 36 30) Finished k-point number 31 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 28) Finished k-point number 29 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 27) Finished k-point number 28 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 5) Finished k-point number 6 1 with #bands= 40 16) Finished k-point number 17 1 with #bands= 39 77) Finished k-point number 78 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 0) Finished k-point number 1 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 37) Finished k-point number 38 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.0142042834657 Density= 63.0048666591923 62.9999999999000 EF 9.74209045135212 Density= 62.9645103436662 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.73603050 0.71603051 0.486666E-02 -0.354897E-01 1 0.73361866 0.73603050 -0.839032E-05 0.486666E-02 2 0.73362281 0.73603050 -0.186241E-08 0.486666E-02 3 0.73362281 0.73362281 0.710543E-14 -0.186241E-08 Absolute convergence of |F(X)|. Difference in EF too large to mix -3.275833272842374E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0327583327 EF set to : 9.9814459507 new EF (no-mixing): 9.9814459507 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -369.460717670589 eV Ratio to renormalize= 0.999962076984186 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.98144595073728 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 5) Finished k-point number 6 1 with #bands= 40 3) Finished k-point number 4 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 12) Finished k-point number 13 1 with #bands= 36 7) Finished k-point number 8 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 34 22) Finished k-point number 23 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 2) Finished k-point number 3 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 14) Finished k-point number 15 1 with #bands= 34 4) Finished k-point number 5 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 61) Finished k-point number 62 1 with #bands= 39 13) Finished k-point number 14 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 15) Finished k-point number 16 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 55) Finished k-point number 56 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 71) Finished k-point number 72 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 57) Finished k-point number 58 1 with #bands= 40 82) Finished k-point number 83 1 with #bands= 38 87) Finished k-point number 88 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 62) Finished k-point number 63 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 38 68) Finished k-point number 69 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 40) Finished k-point number 41 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 51) Finished k-point number 52 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 75) Finished k-point number 76 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 52) Finished k-point number 53 1 with #bands= 34 26) Finished k-point number 27 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 49) Finished k-point number 50 1 with #bands= 34 27) Finished k-point number 28 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 80) Finished k-point number 81 1 with #bands= 40 92) Finished k-point number 93 1 with #bands= 39 90) Finished k-point number 91 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 89) Finished k-point number 90 1 with #bands= 36 95) Finished k-point number 96 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 42) Finished k-point number 43 1 with #bands= 36 37) Finished k-point number 38 1 with #bands= 36 46) Finished k-point number 47 1 with #bands= 40 39) Finished k-point number 40 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 47) Finished k-point number 48 1 with #bands= 38 45) Finished k-point number 46 1 with #bands= 34 44) Finished k-point number 45 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897079780762075 0.744453930793517 0.923586029518442 0.926684626036440 0.928491554587769 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 58) Finished k-point number 59 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 40) Finished k-point number 41 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 4) Finished k-point number 5 1 with #bands= 34 88) Finished k-point number 89 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 14) Finished k-point number 15 1 with #bands= 34 53) Finished k-point number 54 1 with #bands= 33 56) Finished k-point number 57 1 with #bands= 33 17) Finished k-point number 18 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 84) Finished k-point number 85 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 85) Finished k-point number 86 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 67) Finished k-point number 68 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 83) Finished k-point number 84 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 7) Finished k-point number 8 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 1) Finished k-point number 2 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 93) Finished k-point number 94 1 with #bands= 38 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 27) Finished k-point number 28 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 38 6) Finished k-point number 7 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 92) Finished k-point number 93 1 with #bands= 39 16) Finished k-point number 17 1 with #bands= 39 5) Finished k-point number 6 1 with #bands= 40 65) Finished k-point number 66 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 62) Finished k-point number 63 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 0) Finished k-point number 1 1 with #bands= 39 39) Finished k-point number 40 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 38 97) Finished k-point number 98 1 with #bands= 39 98) Finished k-point number 99 1 with #bands= 38 10) Finished k-point number 11 1 with #bands= 40 41) Finished k-point number 42 1 with #bands= 38 80) Finished k-point number 81 1 with #bands= 40 46) Finished k-point number 47 1 with #bands= 40 47) Finished k-point number 48 1 with #bands= 38 36) Finished k-point number 37 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 44) Finished k-point number 45 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.98144595073728 Density= 63.0015529761913 62.9999999999000 EF 9.70933211862370 Density= 62.9617951429869 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.73362281 0.71362281 0.155298E-02 -0.382049E-01 1 0.73284159 0.73362281 -0.406161E-05 0.155298E-02 2 0.73284363 0.73362281 -0.359684E-09 0.155298E-02 3 0.73284363 0.73284363 0.142109E-13 -0.359684E-09 Absolute convergence of |F(X)|. Difference in EF= -0.0106012793 EF set to : 9.9708446714 new EF (no-mixing): 9.9708446714 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 37 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 37 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 37 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 Sum of eigenvalues= -369.364316112469 eV Ratio to renormalize= 0.999935270111695 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 9.97084467139013 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 10) Finished k-point number 11 1 with #bands= 40 11) Finished k-point number 12 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 0) Finished k-point number 1 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 8) Finished k-point number 9 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 4) Finished k-point number 5 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 24) Finished k-point number 25 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 2) Finished k-point number 3 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 88) Finished k-point number 89 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 36 5) Finished k-point number 6 1 with #bands= 40 41) Finished k-point number 42 1 with #bands= 38 26) Finished k-point number 27 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 61) Finished k-point number 62 1 with #bands= 39 39) Finished k-point number 40 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 30) Finished k-point number 31 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 75) Finished k-point number 76 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 34) Finished k-point number 35 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 83) Finished k-point number 84 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 34 62) Finished k-point number 63 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 49) Finished k-point number 50 1 with #bands= 34 66) Finished k-point number 67 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 63) Finished k-point number 64 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 89) Finished k-point number 90 1 with #bands= 36 85) Finished k-point number 86 1 with #bands= 36 59) Finished k-point number 60 1 with #bands= 34 68) Finished k-point number 69 1 with #bands= 36 48) Finished k-point number 49 1 with #bands= 36 87) Finished k-point number 88 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 91) Finished k-point number 92 1 with #bands= 39 21) Finished k-point number 22 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 12) Finished k-point number 13 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 38 93) Finished k-point number 94 1 with #bands= 38 52) Finished k-point number 53 1 with #bands= 34 57) Finished k-point number 58 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 73) Finished k-point number 74 1 with #bands= 36 18) Finished k-point number 19 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 82) Finished k-point number 83 1 with #bands= 38 20) Finished k-point number 21 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 38 78) Finished k-point number 79 1 with #bands= 33 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897067739301424 0.744041984896175 0.923611796318238 0.926709535812325 0.928517876980119 73) Finished k-point number 74 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 78) Finished k-point number 79 1 with #bands= 33 70) Finished k-point number 71 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 60) Finished k-point number 61 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 38 50) Finished k-point number 51 1 with #bands= 34 74) Finished k-point number 75 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 51) Finished k-point number 52 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 88) Finished k-point number 89 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 3) Finished k-point number 4 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 83) Finished k-point number 84 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 98) Finished k-point number 99 1 with #bands= 38 2) Finished k-point number 3 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 85) Finished k-point number 86 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 34) Finished k-point number 35 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 89) Finished k-point number 90 1 with #bands= 36 67) Finished k-point number 68 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 86) Finished k-point number 87 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 80) Finished k-point number 81 1 with #bands= 40 27) Finished k-point number 28 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 26) Finished k-point number 27 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 19) Finished k-point number 20 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 91) Finished k-point number 92 1 with #bands= 39 35) Finished k-point number 36 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 17) Finished k-point number 18 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 42) Finished k-point number 43 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 66) Finished k-point number 67 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 62) Finished k-point number 63 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 23) Finished k-point number 24 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 21) Finished k-point number 22 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 15) Finished k-point number 16 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 40) Finished k-point number 41 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 81) Finished k-point number 82 1 with #bands= 38 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 9.97084467139013 Density= 62.9644796368613 62.9999999999000 EF 10.2429585035037 Density= 63.0044528942975 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.75284363 0.73284363 0.445289E-02 -0.355204E-01 1 0.75061569 0.75284363 -0.534379E-05 0.445289E-02 2 0.75061837 0.75284363 -0.508209E-09 0.445289E-02 3 0.75061837 0.75061837 0.710543E-14 -0.508209E-09 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.241837549345761 cutoff= 2.9999999E-02 Difference in EF= 0.2418375493 EF set to : 10.2126822207 new EF (no-mixing): 10.2126822207 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 38 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 37 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 37 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 37 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 Sum of eigenvalues= -369.365354367580 eV Ratio to renormalize= 0.999955134047644 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.2126822207359 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 9) Finished k-point number 10 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 34 5) Finished k-point number 6 1 with #bands= 40 10) Finished k-point number 11 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 4) Finished k-point number 5 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 24) Finished k-point number 25 1 with #bands= 36 11) Finished k-point number 12 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 7) Finished k-point number 8 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 12) Finished k-point number 13 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 15) Finished k-point number 16 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 20) Finished k-point number 21 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 22) Finished k-point number 23 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 38 84) Finished k-point number 85 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 30) Finished k-point number 31 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 27) Finished k-point number 28 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 18) Finished k-point number 19 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 28) Finished k-point number 29 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 82) Finished k-point number 83 1 with #bands= 38 40) Finished k-point number 41 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 61) Finished k-point number 62 1 with #bands= 39 48) Finished k-point number 49 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 68) Finished k-point number 69 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 65) Finished k-point number 66 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 69) Finished k-point number 70 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 93) Finished k-point number 94 1 with #bands= 38 75) Finished k-point number 76 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 87) Finished k-point number 88 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 67) Finished k-point number 68 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 71) Finished k-point number 72 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 83) Finished k-point number 84 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 43) Finished k-point number 44 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 77) Finished k-point number 78 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 38 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.897091277803639 0.743924849061554 0.923617288746039 0.926714402985589 0.928538727471894 17) Finished k-point number 18 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 8) Finished k-point number 9 1 with #bands= 34 4) Finished k-point number 5 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 78) Finished k-point number 79 1 with #bands= 33 55) Finished k-point number 56 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 44) Finished k-point number 45 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 65) Finished k-point number 66 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 76) Finished k-point number 77 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 75) Finished k-point number 76 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 14) Finished k-point number 15 1 with #bands= 34 53) Finished k-point number 54 1 with #bands= 33 13) Finished k-point number 14 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 97) Finished k-point number 98 1 with #bands= 39 29) Finished k-point number 30 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 77) Finished k-point number 78 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 38 23) Finished k-point number 24 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 49) Finished k-point number 50 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 50) Finished k-point number 51 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 34) Finished k-point number 35 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 39) Finished k-point number 40 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 15) Finished k-point number 16 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 21) Finished k-point number 22 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 36 11) Finished k-point number 12 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 82) Finished k-point number 83 1 with #bands= 38 35) Finished k-point number 36 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 16) Finished k-point number 17 1 with #bands= 39 91) Finished k-point number 92 1 with #bands= 39 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 46) Finished k-point number 47 1 with #bands= 40 79) Finished k-point number 80 1 with #bands= 40 54) Finished k-point number 55 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 57) Finished k-point number 58 1 with #bands= 40 83) Finished k-point number 84 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 38 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.2126822207359 Density= 62.9218774178257 62.9999999999000 EF 10.4847960528495 Density= 62.9850093091745 62.9999999999000 EF 10.7569098849631 Density= 63.0667732625713 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.79061836 0.77061836 0.667733E-01 -0.149907E-01 1 0.78061836 0.77061838 0.231817E-01 -0.149907E-01 2 0.77561837 0.77061814 0.271322E-02 -0.149907E-01 3 0.77489271 0.77561837 -0.151604E-03 0.271322E-02 4 0.77493111 0.77561837 -0.238595E-05 0.271322E-02 5 0.77493172 0.77493111 0.167482E-09 -0.238595E-05 6 0.77493172 0.77493172 -0.221505E-09 0.167482E-09 7 0.77493172 0.77493172 -0.221505E-09 0.167482E-09 Absolute convergence of the X interval. Difference in EF too large to mix 0.330800039159402 cutoff= 2.9999999E-02 Difference in EF= 0.3308000392 EF set to : 10.5434822599 new EF (no-mixing): 10.5434822599 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 39 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 39 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 40 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 Sum of eigenvalues= -369.534071801649 eV Ratio to renormalize= 1.00000171305486 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5434822598953 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 2) Finished k-point number 3 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 39) Finished k-point number 40 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 21) Finished k-point number 22 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 25) Finished k-point number 26 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 28) Finished k-point number 29 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 24) Finished k-point number 25 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 38) Finished k-point number 39 1 with #bands= 35 92) Finished k-point number 93 1 with #bands= 39 30) Finished k-point number 31 1 with #bands= 36 40) Finished k-point number 41 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 29) Finished k-point number 30 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 48) Finished k-point number 49 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 34 95) Finished k-point number 96 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 83) Finished k-point number 84 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 37) Finished k-point number 38 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 49) Finished k-point number 50 1 with #bands= 34 66) Finished k-point number 67 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 46) Finished k-point number 47 1 with #bands= 40 52) Finished k-point number 53 1 with #bands= 34 65) Finished k-point number 66 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 63) Finished k-point number 64 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 91) Finished k-point number 92 1 with #bands= 39 15) Finished k-point number 16 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 71) Finished k-point number 72 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 93) Finished k-point number 94 1 with #bands= 38 16) Finished k-point number 17 1 with #bands= 39 13) Finished k-point number 14 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 37 18) Finished k-point number 19 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 38 42) Finished k-point number 43 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 82) Finished k-point number 83 1 with #bands= 38 77) Finished k-point number 78 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 73) Finished k-point number 74 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896936139209243 0.744167719309500 0.923574552031586 0.926672012921626 0.928415674976069 97) Finished k-point number 98 1 with #bands= 39 98) Finished k-point number 99 1 with #bands= 38 78) Finished k-point number 79 1 with #bands= 33 49) Finished k-point number 50 1 with #bands= 34 70) Finished k-point number 71 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 96) Finished k-point number 97 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 88) Finished k-point number 89 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 72) Finished k-point number 73 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 47) Finished k-point number 48 1 with #bands= 38 83) Finished k-point number 84 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 29) Finished k-point number 30 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 2) Finished k-point number 3 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 81) Finished k-point number 82 1 with #bands= 38 34) Finished k-point number 35 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 67) Finished k-point number 68 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 20) Finished k-point number 21 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 59) Finished k-point number 60 1 with #bands= 34 55) Finished k-point number 56 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 30) Finished k-point number 31 1 with #bands= 36 51) Finished k-point number 52 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 7) Finished k-point number 8 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 91) Finished k-point number 92 1 with #bands= 39 92) Finished k-point number 93 1 with #bands= 39 16) Finished k-point number 17 1 with #bands= 39 93) Finished k-point number 94 1 with #bands= 38 65) Finished k-point number 66 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 62) Finished k-point number 63 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 42) Finished k-point number 43 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 43) Finished k-point number 44 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 57) Finished k-point number 58 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5434822598953 Density= 62.9927587015691 62.9999999999000 EF 10.8155960920089 Density= 63.0699447953894 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.79493172 0.77493172 0.699448E-01 -0.724130E-02 1 0.78493172 0.77493174 0.236671E-01 -0.724130E-02 2 0.77993173 0.77493149 0.807147E-02 -0.724130E-02 3 0.77743161 0.77493162 0.524673E-03 -0.724130E-02 4 0.77726039 0.77743161 -0.720865E-05 0.524673E-03 5 0.77726271 0.77726039 0.140793E-07 -0.720865E-05 6 0.77726271 0.77726039 0.348166E-12 -0.720865E-05 Absolute convergence of |F(X)|. Difference in EF too large to mix 3.171467303950328E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0317146730 EF set to : 10.5751969329 new EF (no-mixing): 10.5751969329 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 40 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 41 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 41 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 39 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 41 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 41 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 40 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 41 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 40 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 41 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 41 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 40 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 40 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 41 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 41 Sum of eigenvalues= -369.434711051420 eV Ratio to renormalize= 0.999987019716910 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5751969329348 2) Finished k-point number 3 1 with #bands= 35 sumw= 1000.00000000000 8) Finished k-point number 9 1 with #bands= 34 beta....= 49.9999999999999 n0_om...= 201 11) Finished k-point number 12 1 with #bands= 37 3) Finished k-point number 4 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 5) Finished k-point number 6 1 with #bands= 40 29) Finished k-point number 30 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 7) Finished k-point number 8 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 4) Finished k-point number 5 1 with #bands= 34 75) Finished k-point number 76 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 39 24) Finished k-point number 25 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 30) Finished k-point number 31 1 with #bands= 36 48) Finished k-point number 49 1 with #bands= 36 18) Finished k-point number 19 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 41) Finished k-point number 42 1 with #bands= 38 13) Finished k-point number 14 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 35 39) Finished k-point number 40 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 74) Finished k-point number 75 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 34) Finished k-point number 35 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 72) Finished k-point number 73 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 14) Finished k-point number 15 1 with #bands= 34 31) Finished k-point number 32 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 85) Finished k-point number 86 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 20) Finished k-point number 21 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 66) Finished k-point number 67 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 90) Finished k-point number 91 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 83) Finished k-point number 84 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 93) Finished k-point number 94 1 with #bands= 38 95) Finished k-point number 96 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 91) Finished k-point number 92 1 with #bands= 39 80) Finished k-point number 81 1 with #bands= 40 69) Finished k-point number 70 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 46) Finished k-point number 47 1 with #bands= 40 97) Finished k-point number 98 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 52) Finished k-point number 53 1 with #bands= 34 96) Finished k-point number 97 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 84) Finished k-point number 85 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 89) Finished k-point number 90 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 67) Finished k-point number 68 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 61) Finished k-point number 62 1 with #bands= 39 65) Finished k-point number 66 1 with #bands= 37 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896836462811702 0.743896207099635 0.923553475010580 0.926648326795265 0.928372735668746 97) Finished k-point number 98 1 with #bands= 39 53) Finished k-point number 54 1 with #bands= 33 84) Finished k-point number 85 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 78) Finished k-point number 79 1 with #bands= 33 43) Finished k-point number 44 1 with #bands= 36 38) Finished k-point number 39 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 44) Finished k-point number 45 1 with #bands= 34 40) Finished k-point number 41 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 19) Finished k-point number 20 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 88) Finished k-point number 89 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 9) Finished k-point number 10 1 with #bands= 34 25) Finished k-point number 26 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 33) Finished k-point number 34 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 57) Finished k-point number 58 1 with #bands= 40 23) Finished k-point number 24 1 with #bands= 36 2) Finished k-point number 3 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 34) Finished k-point number 35 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 21) Finished k-point number 22 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 87) Finished k-point number 88 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 6) Finished k-point number 7 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 16) Finished k-point number 17 1 with #bands= 39 93) Finished k-point number 94 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 77) Finished k-point number 78 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 63) Finished k-point number 64 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 83) Finished k-point number 84 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 82) Finished k-point number 83 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5751969329348 Density= 63.0010068698705 62.9999999999000 EF 10.3030831008212 Density= 62.9553964318125 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.77726271 0.75726271 0.100687E-02 -0.446036E-01 1 0.77682120 0.77726271 -0.243101E-03 0.100687E-02 2 0.77690707 0.77682120 0.521524E-06 -0.243101E-03 3 0.77690688 0.77682120 0.183164E-09 -0.243101E-03 4 0.77690688 0.77690688 -0.100478E-09 0.183164E-09 5 0.77690688 0.77690688 0.183164E-09 -0.100478E-09 6 0.77690688 0.77690688 0.183164E-09 -0.100478E-09 Absolute convergence of the X interval. Difference in EF= -0.0048412518 EF set to : 10.5703556812 new EF (no-mixing): 10.5703556812 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 41 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 41 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 41 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 41 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 41 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 41 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 42 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 40 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 41 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 40 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 40 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 41 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 40 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 42 Sum of eigenvalues= -369.467904776929 eV Ratio to renormalize= 0.999984489933031 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5703556811651 9) Finished k-point number 10 1 with #bands= 34 sumw= 1000.00000000000 5) Finished k-point number 6 1 with #bands= 40 beta....= 49.9999999999999 n0_om...= 201 1) Finished k-point number 2 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 14) Finished k-point number 15 1 with #bands= 34 7) Finished k-point number 8 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 3) Finished k-point number 4 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 11) Finished k-point number 12 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 66) Finished k-point number 67 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 28) Finished k-point number 29 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 22) Finished k-point number 23 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 20) Finished k-point number 21 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 94) Finished k-point number 95 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 24) Finished k-point number 25 1 with #bands= 36 49) Finished k-point number 50 1 with #bands= 34 74) Finished k-point number 75 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 42) Finished k-point number 43 1 with #bands= 36 38) Finished k-point number 39 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 52) Finished k-point number 53 1 with #bands= 34 70) Finished k-point number 71 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 34 54) Finished k-point number 55 1 with #bands= 40 27) Finished k-point number 28 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 32) Finished k-point number 33 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 61) Finished k-point number 62 1 with #bands= 39 33) Finished k-point number 34 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 37) Finished k-point number 38 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 67) Finished k-point number 68 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 85) Finished k-point number 86 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 91) Finished k-point number 92 1 with #bands= 39 93) Finished k-point number 94 1 with #bands= 38 47) Finished k-point number 48 1 with #bands= 38 83) Finished k-point number 84 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 95) Finished k-point number 96 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896830584298462 0.743922658428740 0.923555082640576 0.926649395615783 0.928368919797811 19) Finished k-point number 20 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 98) Finished k-point number 99 1 with #bands= 38 13) Finished k-point number 14 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 14) Finished k-point number 15 1 with #bands= 34 54) Finished k-point number 55 1 with #bands= 40 69) Finished k-point number 70 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 34 65) Finished k-point number 66 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 53) Finished k-point number 54 1 with #bands= 33 74) Finished k-point number 75 1 with #bands= 36 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 12) Finished k-point number 13 1 with #bands= 36 9) Finished k-point number 10 1 with #bands= 34 23) Finished k-point number 24 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 42) Finished k-point number 43 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 55) Finished k-point number 56 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 7) Finished k-point number 8 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 46) Finished k-point number 47 1 with #bands= 40 35) Finished k-point number 36 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 41) Finished k-point number 42 1 with #bands= 38 97) Finished k-point number 98 1 with #bands= 39 0) Finished k-point number 1 1 with #bands= 39 5) Finished k-point number 6 1 with #bands= 40 77) Finished k-point number 78 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 82) Finished k-point number 83 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 89) Finished k-point number 90 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 40) Finished k-point number 41 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 93) Finished k-point number 94 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 91) Finished k-point number 92 1 with #bands= 39 80) Finished k-point number 81 1 with #bands= 40 83) Finished k-point number 84 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5703556811651 Density= 63.0009383032794 62.9999999999000 EF 10.2982418490515 Density= 62.9577315256580 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.77690688 0.75690688 0.938303E-03 -0.422685E-01 1 0.77647255 0.77690688 -0.252277E-03 0.938303E-03 2 0.77656458 0.77647255 0.132072E-06 -0.252277E-03 3 0.77656453 0.77656458 -0.120579E-10 0.132072E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0046578743 EF set to : 10.5656978069 new EF (no-mixing): 10.5656978069 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 40 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 42 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 41 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 Sum of eigenvalues= -369.463412655933 eV Ratio to renormalize= 0.999987123783700 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5656978068973 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 2) Finished k-point number 3 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 8) Finished k-point number 9 1 with #bands= 34 4) Finished k-point number 5 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 76) Finished k-point number 77 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 3) Finished k-point number 4 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 15) Finished k-point number 16 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 40) Finished k-point number 41 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 33) Finished k-point number 34 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 56) Finished k-point number 57 1 with #bands= 33 12) Finished k-point number 13 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 39) Finished k-point number 40 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 16) Finished k-point number 17 1 with #bands= 39 29) Finished k-point number 30 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 22) Finished k-point number 23 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 32) Finished k-point number 33 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 18) Finished k-point number 19 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 21) Finished k-point number 22 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 84) Finished k-point number 85 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 89) Finished k-point number 90 1 with #bands= 36 46) Finished k-point number 47 1 with #bands= 40 26) Finished k-point number 27 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 36) Finished k-point number 37 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 66) Finished k-point number 67 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 85) Finished k-point number 86 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 49) Finished k-point number 50 1 with #bands= 34 52) Finished k-point number 53 1 with #bands= 34 77) Finished k-point number 78 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 88) Finished k-point number 89 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 65) Finished k-point number 66 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 69) Finished k-point number 70 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 37) Finished k-point number 38 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 70) Finished k-point number 71 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 61) Finished k-point number 62 1 with #bands= 39 80) Finished k-point number 81 1 with #bands= 40 44) Finished k-point number 45 1 with #bands= 34 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896846246657353 0.743799139366770 0.923542860346032 0.926639122235576 0.928376889602788 36) Finished k-point number 37 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 48) Finished k-point number 49 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 76) Finished k-point number 77 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 87) Finished k-point number 88 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 25) Finished k-point number 26 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 73) Finished k-point number 74 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 67) Finished k-point number 68 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 51) Finished k-point number 52 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 42) Finished k-point number 43 1 with #bands= 36 23) Finished k-point number 24 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 20) Finished k-point number 21 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 66) Finished k-point number 67 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 21) Finished k-point number 22 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 85) Finished k-point number 86 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 54) Finished k-point number 55 1 with #bands= 40 81) Finished k-point number 82 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 90) Finished k-point number 91 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 46) Finished k-point number 47 1 with #bands= 40 94) Finished k-point number 95 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 91) Finished k-point number 92 1 with #bands= 39 93) Finished k-point number 94 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 75) Finished k-point number 76 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 40) Finished k-point number 41 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 44) Finished k-point number 45 1 with #bands= 34 47) Finished k-point number 48 1 with #bands= 38 74) Finished k-point number 75 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5656978068973 Density= 62.9960394178579 62.9999999999000 EF 10.8378116390108 Density= 63.0653678155158 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.79656453 0.77656453 0.653678E-01 -0.396058E-02 1 0.78656453 0.77656455 0.215495E-01 -0.396058E-02 2 0.78156454 0.77656431 0.866185E-02 -0.396058E-02 3 0.77906442 0.77656443 0.261735E-02 -0.396058E-02 4 0.77804214 0.77906442 -0.414511E-05 0.261735E-02 5 0.77804375 0.77804214 0.732010E-07 -0.414511E-05 6 0.77804372 0.77804214 0.228795E-11 -0.414511E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0201254031 EF set to : 10.5858232100 new EF (no-mixing): 10.5858232100 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 39 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 Sum of eigenvalues= -369.428066234333 eV Ratio to renormalize= 0.999986900388033 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5858232100162 9) Finished k-point number 10 1 with #bands= 34 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 8) Finished k-point number 9 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 2) Finished k-point number 3 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 34 25) Finished k-point number 26 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 6) Finished k-point number 7 1 with #bands= 38 22) Finished k-point number 23 1 with #bands= 35 10) Finished k-point number 11 1 with #bands= 40 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 26) Finished k-point number 27 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 17) Finished k-point number 18 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 40) Finished k-point number 41 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 74) Finished k-point number 75 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 63) Finished k-point number 64 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 86) Finished k-point number 87 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 44) Finished k-point number 45 1 with #bands= 34 61) Finished k-point number 62 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 13) Finished k-point number 14 1 with #bands= 35 92) Finished k-point number 93 1 with #bands= 39 41) Finished k-point number 42 1 with #bands= 38 67) Finished k-point number 68 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 23) Finished k-point number 24 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 73) Finished k-point number 74 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 43) Finished k-point number 44 1 with #bands= 36 95) Finished k-point number 96 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 71) Finished k-point number 72 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 52) Finished k-point number 53 1 with #bands= 34 88) Finished k-point number 89 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 87) Finished k-point number 88 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 75) Finished k-point number 76 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 80) Finished k-point number 81 1 with #bands= 40 93) Finished k-point number 94 1 with #bands= 38 90) Finished k-point number 91 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 85) Finished k-point number 86 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 49) Finished k-point number 50 1 with #bands= 34 83) Finished k-point number 84 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 55) Finished k-point number 56 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896840383016319 0.743714220634981 0.923555370331917 0.926650781723955 0.928382050477432 36) Finished k-point number 37 1 with #bands= 36 18) Finished k-point number 19 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 8) Finished k-point number 9 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 90) Finished k-point number 91 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 2) Finished k-point number 3 1 with #bands= 35 92) Finished k-point number 93 1 with #bands= 39 91) Finished k-point number 92 1 with #bands= 39 44) Finished k-point number 45 1 with #bands= 34 40) Finished k-point number 41 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 5) Finished k-point number 6 1 with #bands= 40 11) Finished k-point number 12 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 12) Finished k-point number 13 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 1) Finished k-point number 2 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 21) Finished k-point number 22 1 with #bands= 37 74) Finished k-point number 75 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 22) Finished k-point number 23 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 23) Finished k-point number 24 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 13) Finished k-point number 14 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 81) Finished k-point number 82 1 with #bands= 37 3) Finished k-point number 4 1 with #bands= 34 20) Finished k-point number 21 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 88) Finished k-point number 89 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 72) Finished k-point number 73 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 70) Finished k-point number 71 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 87) Finished k-point number 88 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 28) Finished k-point number 29 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 26) Finished k-point number 27 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 68) Finished k-point number 69 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 60) Finished k-point number 61 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 10) Finished k-point number 11 1 with #bands= 40 45) Finished k-point number 46 1 with #bands= 34 57) Finished k-point number 58 1 with #bands= 40 59) Finished k-point number 60 1 with #bands= 34 55) Finished k-point number 56 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 51) Finished k-point number 52 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 46) Finished k-point number 47 1 with #bands= 40 83) Finished k-point number 84 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5858232100162 Density= 63.0028696771929 62.9999999999000 EF 10.3137093779026 Density= 62.9599945814440 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.77804372 0.75804373 0.286968E-02 -0.400054E-01 1 0.77670510 0.77804372 -0.681833E-03 0.286968E-02 2 0.77696210 0.77670510 0.106645E-04 -0.681833E-03 3 0.77695814 0.77670510 0.229209E-07 -0.681833E-03 4 0.77695813 0.77695814 -0.170530E-12 0.229209E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0147702600 EF set to : 10.5710529501 new EF (no-mixing): 10.5710529501 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 39 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 Sum of eigenvalues= -369.430534032398 eV Ratio to renormalize= 0.999952605340564 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5710529500597 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 11) Finished k-point number 12 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 37) Finished k-point number 38 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 2) Finished k-point number 3 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 30) Finished k-point number 31 1 with #bands= 36 9) Finished k-point number 10 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 3) Finished k-point number 4 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 66) Finished k-point number 67 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 28) Finished k-point number 29 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 56) Finished k-point number 57 1 with #bands= 33 94) Finished k-point number 95 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 18) Finished k-point number 19 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 16) Finished k-point number 17 1 with #bands= 39 29) Finished k-point number 30 1 with #bands= 35 65) Finished k-point number 66 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 75) Finished k-point number 76 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 42) Finished k-point number 43 1 with #bands= 36 32) Finished k-point number 33 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 70) Finished k-point number 71 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 26) Finished k-point number 27 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 95) Finished k-point number 96 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 33) Finished k-point number 34 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 54) Finished k-point number 55 1 with #bands= 40 62) Finished k-point number 63 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 84) Finished k-point number 85 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 59) Finished k-point number 60 1 with #bands= 34 25) Finished k-point number 26 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 48) Finished k-point number 49 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 57) Finished k-point number 58 1 with #bands= 40 58) Finished k-point number 59 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 91) Finished k-point number 92 1 with #bands= 39 67) Finished k-point number 68 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 89) Finished k-point number 90 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 71) Finished k-point number 72 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 63) Finished k-point number 64 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896829377167104 0.743614795093406 0.923574500375477 0.926668323262468 0.928391649449841 18) Finished k-point number 19 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 23) Finished k-point number 24 1 with #bands= 36 21) Finished k-point number 22 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 15) Finished k-point number 16 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 96) Finished k-point number 97 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 68) Finished k-point number 69 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 36) Finished k-point number 37 1 with #bands= 36 17) Finished k-point number 18 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 20) Finished k-point number 21 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 81) Finished k-point number 82 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 25) Finished k-point number 26 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 84) Finished k-point number 85 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 49) Finished k-point number 50 1 with #bands= 34 85) Finished k-point number 86 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 34) Finished k-point number 35 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 90) Finished k-point number 91 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 11) Finished k-point number 12 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 93) Finished k-point number 94 1 with #bands= 38 62) Finished k-point number 63 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 44) Finished k-point number 45 1 with #bands= 34 65) Finished k-point number 66 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 5) Finished k-point number 6 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 80) Finished k-point number 81 1 with #bands= 40 54) Finished k-point number 55 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 57) Finished k-point number 58 1 with #bands= 40 37) Finished k-point number 38 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 72) Finished k-point number 73 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 83) Finished k-point number 84 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 45) Finished k-point number 46 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 47) Finished k-point number 48 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5710529500597 Density= 62.9993818159840 62.9999999999000 EF 10.8431667821732 Density= 63.0680512700854 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.79695813 0.77695813 0.680513E-01 -0.618184E-03 1 0.78695813 0.77695815 0.244521E-01 -0.618184E-03 2 0.78195814 0.77695838 0.118076E-01 -0.618184E-03 3 0.77945826 0.77695803 0.570189E-02 -0.618184E-03 4 0.77820814 0.77695820 0.267635E-02 -0.618184E-03 5 0.77758317 0.77695835 0.104825E-02 -0.618184E-03 6 0.77727076 0.77695804 0.219335E-03 -0.618184E-03 7 0.77718855 0.77727076 -0.231830E-06 0.219335E-03 8 0.77718864 0.77718855 0.279989E-09 -0.231830E-06 9 0.77718864 0.77718855 0.284217E-13 -0.231830E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0031361737 EF set to : 10.5741891237 new EF (no-mixing): 10.5741891237 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -369.479091392962 eV Ratio to renormalize= 0.999987912311191 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5741891237163 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 9) Finished k-point number 10 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 4) Finished k-point number 5 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 0) Finished k-point number 1 1 with #bands= 39 2) Finished k-point number 3 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 23) Finished k-point number 24 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 7) Finished k-point number 8 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 19) Finished k-point number 20 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 3) Finished k-point number 4 1 with #bands= 34 20) Finished k-point number 21 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 44) Finished k-point number 45 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 24) Finished k-point number 25 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 27) Finished k-point number 28 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 39) Finished k-point number 40 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 70) Finished k-point number 71 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 32) Finished k-point number 33 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 40) Finished k-point number 41 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 25) Finished k-point number 26 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 76) Finished k-point number 77 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 46) Finished k-point number 47 1 with #bands= 40 87) Finished k-point number 88 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 65) Finished k-point number 66 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 48) Finished k-point number 49 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 50) Finished k-point number 51 1 with #bands= 34 52) Finished k-point number 53 1 with #bands= 34 49) Finished k-point number 50 1 with #bands= 34 57) Finished k-point number 58 1 with #bands= 40 83) Finished k-point number 84 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 54) Finished k-point number 55 1 with #bands= 40 53) Finished k-point number 54 1 with #bands= 33 56) Finished k-point number 57 1 with #bands= 33 73) Finished k-point number 74 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 96) Finished k-point number 97 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 89) Finished k-point number 90 1 with #bands= 36 75) Finished k-point number 76 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 92) Finished k-point number 93 1 with #bands= 39 90) Finished k-point number 91 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 91) Finished k-point number 92 1 with #bands= 39 86) Finished k-point number 87 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 94) Finished k-point number 95 1 with #bands= 37 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896851848879648 0.744452678674161 0.923513886402974 0.926610166292983 0.928334791840364 4) Finished k-point number 5 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 13) Finished k-point number 14 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 10) Finished k-point number 11 1 with #bands= 40 12) Finished k-point number 13 1 with #bands= 36 0) Finished k-point number 1 1 with #bands= 39 54) Finished k-point number 55 1 with #bands= 40 8) Finished k-point number 9 1 with #bands= 34 40) Finished k-point number 41 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 2) Finished k-point number 3 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 43) Finished k-point number 44 1 with #bands= 36 17) Finished k-point number 18 1 with #bands= 35 42) Finished k-point number 43 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 19) Finished k-point number 20 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 7) Finished k-point number 8 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 39) Finished k-point number 40 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 88) Finished k-point number 89 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 22) Finished k-point number 23 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 23) Finished k-point number 24 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 83) Finished k-point number 84 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 29) Finished k-point number 30 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 33) Finished k-point number 34 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 87) Finished k-point number 88 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 71) Finished k-point number 72 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 86) Finished k-point number 87 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 68) Finished k-point number 69 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 65) Finished k-point number 66 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 89) Finished k-point number 90 1 with #bands= 36 61) Finished k-point number 62 1 with #bands= 39 74) Finished k-point number 75 1 with #bands= 36 93) Finished k-point number 94 1 with #bands= 38 47) Finished k-point number 48 1 with #bands= 38 46) Finished k-point number 47 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5741891237163 Density= 63.0025615353281 62.9999999999000 EF 10.3020752916027 Density= 62.9601792791289 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.77718864 0.75718864 0.256154E-02 -0.398207E-01 1 0.77597986 0.77718864 -0.699198E-03 0.256154E-02 2 0.77623906 0.77718864 -0.110535E-05 0.256154E-02 3 0.77623947 0.77623906 0.230329E-08 -0.110535E-05 4 0.77623946 0.77623906 0.142109E-13 -0.110535E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0129141171 EF set to : 10.5612750066 new EF (no-mixing): 10.5612750066 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 Sum of eigenvalues= -369.423367376497 eV Ratio to renormalize= 0.999988598287355 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5612750066313 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 0) Finished k-point number 1 1 with #bands= 39 5) Finished k-point number 6 1 with #bands= 40 33) Finished k-point number 34 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 46) Finished k-point number 47 1 with #bands= 40 9) Finished k-point number 10 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 10) Finished k-point number 11 1 with #bands= 40 58) Finished k-point number 59 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 2) Finished k-point number 3 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 65) Finished k-point number 66 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 41) Finished k-point number 42 1 with #bands= 38 18) Finished k-point number 19 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 15) Finished k-point number 16 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 22) Finished k-point number 23 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 44) Finished k-point number 45 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 12) Finished k-point number 13 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 25) Finished k-point number 26 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 60) Finished k-point number 61 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 49) Finished k-point number 50 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 64) Finished k-point number 65 1 with #bands= 36 40) Finished k-point number 41 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 36) Finished k-point number 37 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 27) Finished k-point number 28 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 70) Finished k-point number 71 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 71) Finished k-point number 72 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 43) Finished k-point number 44 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 72) Finished k-point number 73 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 75) Finished k-point number 76 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 93) Finished k-point number 94 1 with #bands= 38 95) Finished k-point number 96 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 83) Finished k-point number 84 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 87) Finished k-point number 88 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 88) Finished k-point number 89 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 89) Finished k-point number 90 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896838458594237 0.744227501423874 0.923543430200843 0.926637489361265 0.928353937121534 40) Finished k-point number 41 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 21) Finished k-point number 22 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 67) Finished k-point number 68 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 42) Finished k-point number 43 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 72) Finished k-point number 73 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 44) Finished k-point number 45 1 with #bands= 34 39) Finished k-point number 40 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 33) Finished k-point number 34 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 43) Finished k-point number 44 1 with #bands= 36 84) Finished k-point number 85 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 41) Finished k-point number 42 1 with #bands= 38 89) Finished k-point number 90 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 71) Finished k-point number 72 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 11) Finished k-point number 12 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 96) Finished k-point number 97 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 37) Finished k-point number 38 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 97) Finished k-point number 98 1 with #bands= 39 92) Finished k-point number 93 1 with #bands= 39 65) Finished k-point number 66 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 62) Finished k-point number 63 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 5) Finished k-point number 6 1 with #bands= 40 78) Finished k-point number 79 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 39 61) Finished k-point number 62 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 57) Finished k-point number 58 1 with #bands= 40 75) Finished k-point number 76 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 80) Finished k-point number 81 1 with #bands= 40 47) Finished k-point number 48 1 with #bands= 38 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5612750066313 Density= 63.0050737286889 62.9999999999000 EF 10.2891611745177 Density= 62.9636274897799 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.77623946 0.75623947 0.507373E-02 -0.363725E-01 1 0.77379112 0.77623946 -0.112142E-02 0.507373E-02 2 0.77423431 0.77623946 -0.744732E-04 0.507373E-02 3 0.77426538 0.77423431 0.230226E-06 -0.744732E-04 4 0.77426529 0.77426538 -0.269004E-09 0.230226E-06 5 0.77426529 0.77426538 -0.142109E-13 0.230226E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0268600803 EF set to : 10.5344149264 new EF (no-mixing): 10.5344149264 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 Sum of eigenvalues= -369.472498113860 eV Ratio to renormalize= 0.999974804233543 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5344149263764 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 3) Finished k-point number 4 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 0) Finished k-point number 1 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 11) Finished k-point number 12 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 7) Finished k-point number 8 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 48) Finished k-point number 49 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 5) Finished k-point number 6 1 with #bands= 40 28) Finished k-point number 29 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 2) Finished k-point number 3 1 with #bands= 35 80) Finished k-point number 81 1 with #bands= 40 44) Finished k-point number 45 1 with #bands= 34 76) Finished k-point number 77 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 52) Finished k-point number 53 1 with #bands= 34 74) Finished k-point number 75 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 83) Finished k-point number 84 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 39) Finished k-point number 40 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 87) Finished k-point number 88 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 72) Finished k-point number 73 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 34) Finished k-point number 35 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 75) Finished k-point number 76 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 25) Finished k-point number 26 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 22) Finished k-point number 23 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 96) Finished k-point number 97 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 58) Finished k-point number 59 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 51) Finished k-point number 52 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 13) Finished k-point number 14 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 92) Finished k-point number 93 1 with #bands= 39 63) Finished k-point number 64 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 64) Finished k-point number 65 1 with #bands= 36 91) Finished k-point number 92 1 with #bands= 39 67) Finished k-point number 68 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 85) Finished k-point number 86 1 with #bands= 36 66) Finished k-point number 67 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 90) Finished k-point number 91 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 93) Finished k-point number 94 1 with #bands= 38 86) Finished k-point number 87 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896794106234154 0.743259850457465 0.923619801843012 0.926710654746394 0.928414549416890 49) Finished k-point number 50 1 with #bands= 34 96) Finished k-point number 97 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 18) Finished k-point number 19 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 89) Finished k-point number 90 1 with #bands= 36 95) Finished k-point number 96 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 57) Finished k-point number 58 1 with #bands= 40 50) Finished k-point number 51 1 with #bands= 34 48) Finished k-point number 49 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 93) Finished k-point number 94 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 60) Finished k-point number 61 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 58) Finished k-point number 59 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 23) Finished k-point number 24 1 with #bands= 36 3) Finished k-point number 4 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 88) Finished k-point number 89 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 25) Finished k-point number 26 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 71) Finished k-point number 72 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 68) Finished k-point number 69 1 with #bands= 36 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 11) Finished k-point number 12 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 65) Finished k-point number 66 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 39) Finished k-point number 40 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 0) Finished k-point number 1 1 with #bands= 39 5) Finished k-point number 6 1 with #bands= 40 77) Finished k-point number 78 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 72) Finished k-point number 73 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 42) Finished k-point number 43 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 41) Finished k-point number 42 1 with #bands= 38 73) Finished k-point number 74 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 80) Finished k-point number 81 1 with #bands= 40 43) Finished k-point number 44 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 46) Finished k-point number 47 1 with #bands= 40 81) Finished k-point number 82 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5344149263764 Density= 62.9971491363721 62.9999999999000 EF 10.8065287584899 Density= 63.0613924027474 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.79426528 0.77426529 0.613924E-01 -0.285086E-02 1 0.78426528 0.77426483 0.228126E-01 -0.285086E-02 2 0.77926506 0.77426506 0.101008E-01 -0.285086E-02 3 0.77676506 0.77426494 0.366215E-02 -0.285086E-02 4 0.77551500 0.77426500 0.308890E-03 -0.285086E-02 5 0.77539589 0.77551500 -0.339095E-05 0.308890E-03 6 0.77539718 0.77551500 -0.107980E-07 0.308890E-03 7 0.77539719 0.77551500 -0.710543E-14 0.308890E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0154002924 EF set to : 10.5498152187 new EF (no-mixing): 10.5498152187 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -369.526099977980 eV Ratio to renormalize= 0.999952275696025 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5498152187481 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 3) Finished k-point number 4 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 6) Finished k-point number 7 1 with #bands= 38 4) Finished k-point number 5 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 16) Finished k-point number 17 1 with #bands= 39 11) Finished k-point number 12 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 67) Finished k-point number 68 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 62) Finished k-point number 63 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 22) Finished k-point number 23 1 with #bands= 35 0) Finished k-point number 1 1 with #bands= 39 33) Finished k-point number 34 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 15) Finished k-point number 16 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 17) Finished k-point number 18 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 44) Finished k-point number 45 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 12) Finished k-point number 13 1 with #bands= 36 66) Finished k-point number 67 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 43) Finished k-point number 44 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 28) Finished k-point number 29 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 26) Finished k-point number 27 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 96) Finished k-point number 97 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 72) Finished k-point number 73 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 77) Finished k-point number 78 1 with #bands= 36 59) Finished k-point number 60 1 with #bands= 34 83) Finished k-point number 84 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 74) Finished k-point number 75 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 85) Finished k-point number 86 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 47) Finished k-point number 48 1 with #bands= 38 52) Finished k-point number 53 1 with #bands= 34 98) Finished k-point number 99 1 with #bands= 38 75) Finished k-point number 76 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 92) Finished k-point number 93 1 with #bands= 39 88) Finished k-point number 89 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 91) Finished k-point number 92 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 37 36) Finished k-point number 37 1 with #bands= 36 95) Finished k-point number 96 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 90) Finished k-point number 91 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 86) Finished k-point number 87 1 with #bands= 37 89) Finished k-point number 90 1 with #bands= 36 37) Finished k-point number 38 1 with #bands= 36 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896823224704529 0.743698823014156 0.923559426745751 0.926655120541498 0.928376189060956 4) Finished k-point number 5 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 78) Finished k-point number 79 1 with #bands= 33 90) Finished k-point number 91 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 87) Finished k-point number 88 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 68) Finished k-point number 69 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 13) Finished k-point number 14 1 with #bands= 35 93) Finished k-point number 94 1 with #bands= 38 65) Finished k-point number 66 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 1) Finished k-point number 2 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 0) Finished k-point number 1 1 with #bands= 39 69) Finished k-point number 70 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 63) Finished k-point number 64 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 74) Finished k-point number 75 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 48) Finished k-point number 49 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 25) Finished k-point number 26 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 67) Finished k-point number 68 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 85) Finished k-point number 86 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 91) Finished k-point number 92 1 with #bands= 39 55) Finished k-point number 56 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 51) Finished k-point number 52 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 80) Finished k-point number 81 1 with #bands= 40 21) Finished k-point number 22 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 20) Finished k-point number 21 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 82) Finished k-point number 83 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 75) Finished k-point number 76 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 38) Finished k-point number 39 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 37) Finished k-point number 38 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 77) Finished k-point number 78 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 83) Finished k-point number 84 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 40) Finished k-point number 41 1 with #bands= 35 39) Finished k-point number 40 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 47) Finished k-point number 48 1 with #bands= 38 46) Finished k-point number 47 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5498152187481 Density= 62.9970452423728 62.9999999999000 EF 10.8219290508617 Density= 63.0645157324382 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.79539719 0.77539719 0.645157E-01 -0.295476E-02 1 0.78539719 0.77539720 0.228088E-01 -0.295476E-02 2 0.78039720 0.77539696 0.977636E-02 -0.295476E-02 3 0.77789708 0.77539708 0.373793E-02 -0.295476E-02 4 0.77664708 0.77539702 0.402577E-03 -0.295476E-02 5 0.77649675 0.77664708 -0.474139E-05 0.402577E-03 6 0.77649850 0.77649675 0.101975E-08 -0.474139E-05 7 0.77649850 0.77649675 0.213163E-13 -0.474139E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0149841050 EF set to : 10.5647993238 new EF (no-mixing): 10.5647993238 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -369.426640314173 eV Ratio to renormalize= 0.999987016568067 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5647993237801 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 6) Finished k-point number 7 1 with #bands= 38 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 36 3) Finished k-point number 4 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 11) Finished k-point number 12 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 35) Finished k-point number 36 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 10) Finished k-point number 11 1 with #bands= 40 9) Finished k-point number 10 1 with #bands= 34 4) Finished k-point number 5 1 with #bands= 34 51) Finished k-point number 52 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 54) Finished k-point number 55 1 with #bands= 40 49) Finished k-point number 50 1 with #bands= 34 41) Finished k-point number 42 1 with #bands= 38 58) Finished k-point number 59 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 40) Finished k-point number 41 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 34 27) Finished k-point number 28 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 38) Finished k-point number 39 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 70) Finished k-point number 71 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 22) Finished k-point number 23 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 66) Finished k-point number 67 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 30) Finished k-point number 31 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 19) Finished k-point number 20 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 15) Finished k-point number 16 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 12) Finished k-point number 13 1 with #bands= 36 56) Finished k-point number 57 1 with #bands= 33 23) Finished k-point number 24 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 80) Finished k-point number 81 1 with #bands= 40 60) Finished k-point number 61 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 68) Finished k-point number 69 1 with #bands= 36 48) Finished k-point number 49 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 69) Finished k-point number 70 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 90) Finished k-point number 91 1 with #bands= 37 74) Finished k-point number 75 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 78) Finished k-point number 79 1 with #bands= 33 76) Finished k-point number 77 1 with #bands= 35 93) Finished k-point number 94 1 with #bands= 38 97) Finished k-point number 98 1 with #bands= 39 83) Finished k-point number 84 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 89) Finished k-point number 90 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 95) Finished k-point number 96 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896795198533485 0.742165423606354 0.923716414562747 0.926799751007413 0.928521038632953 36) Finished k-point number 37 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 22) Finished k-point number 23 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 18) Finished k-point number 19 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 23) Finished k-point number 24 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 12) Finished k-point number 13 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 50) Finished k-point number 51 1 with #bands= 34 49) Finished k-point number 50 1 with #bands= 34 48) Finished k-point number 49 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 55) Finished k-point number 56 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 76) Finished k-point number 77 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 72) Finished k-point number 73 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 3) Finished k-point number 4 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 88) Finished k-point number 89 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 67) Finished k-point number 68 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 70) Finished k-point number 71 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 89) Finished k-point number 90 1 with #bands= 36 11) Finished k-point number 12 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 98) Finished k-point number 99 1 with #bands= 38 64) Finished k-point number 65 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 87) Finished k-point number 88 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 86) Finished k-point number 87 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 6) Finished k-point number 7 1 with #bands= 38 40) Finished k-point number 41 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 65) Finished k-point number 66 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 60) Finished k-point number 61 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 94) Finished k-point number 95 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 63) Finished k-point number 64 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 93) Finished k-point number 94 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 37) Finished k-point number 38 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 42) Finished k-point number 43 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 61) Finished k-point number 62 1 with #bands= 39 83) Finished k-point number 84 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 73) Finished k-point number 74 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5647993237801 Density= 63.0014030348670 62.9999999999000 EF 10.2926854916665 Density= 62.9597884405063 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.77649850 0.75649850 0.140303E-02 -0.402116E-01 1 0.77582420 0.77649850 -0.401484E-03 0.140303E-02 2 0.77597422 0.77649850 -0.295074E-05 0.140303E-02 3 0.77597533 0.77597422 0.201477E-08 -0.295074E-05 4 0.77597533 0.77597533 -0.710543E-14 0.201477E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0071180660 EF set to : 10.5576812578 new EF (no-mixing): 10.5576812578 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 Sum of eigenvalues= -369.756154910681 eV Ratio to renormalize= 0.999933809021862 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5576812577887 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 8) Finished k-point number 9 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 1) Finished k-point number 2 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 3) Finished k-point number 4 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 5) Finished k-point number 6 1 with #bands= 40 12) Finished k-point number 13 1 with #bands= 36 18) Finished k-point number 19 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 46) Finished k-point number 47 1 with #bands= 40 67) Finished k-point number 68 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 14) Finished k-point number 15 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 66) Finished k-point number 67 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 41) Finished k-point number 42 1 with #bands= 38 32) Finished k-point number 33 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 53) Finished k-point number 54 1 with #bands= 33 15) Finished k-point number 16 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 82) Finished k-point number 83 1 with #bands= 38 42) Finished k-point number 43 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 55) Finished k-point number 56 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 69) Finished k-point number 70 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 51) Finished k-point number 52 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 70) Finished k-point number 71 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 85) Finished k-point number 86 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 92) Finished k-point number 93 1 with #bands= 39 39) Finished k-point number 40 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 65) Finished k-point number 66 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 74) Finished k-point number 75 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 27) Finished k-point number 28 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 63) Finished k-point number 64 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 35) Finished k-point number 36 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 34) Finished k-point number 35 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 91) Finished k-point number 92 1 with #bands= 39 28) Finished k-point number 29 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 96) Finished k-point number 97 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896809732139636 0.741613839072065 0.923723368581691 0.926807786643609 0.928555764076098 4) Finished k-point number 5 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 64) Finished k-point number 65 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 22) Finished k-point number 23 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 0) Finished k-point number 1 1 with #bands= 39 21) Finished k-point number 22 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 3) Finished k-point number 4 1 with #bands= 34 71) Finished k-point number 72 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 16) Finished k-point number 17 1 with #bands= 39 70) Finished k-point number 71 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 75) Finished k-point number 76 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 42) Finished k-point number 43 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 36) Finished k-point number 37 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 65) Finished k-point number 66 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 68) Finished k-point number 69 1 with #bands= 36 61) Finished k-point number 62 1 with #bands= 39 18) Finished k-point number 19 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 12) Finished k-point number 13 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 69) Finished k-point number 70 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 25) Finished k-point number 26 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 33) Finished k-point number 34 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 78) Finished k-point number 79 1 with #bands= 33 50) Finished k-point number 51 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 52) Finished k-point number 53 1 with #bands= 34 82) Finished k-point number 83 1 with #bands= 38 85) Finished k-point number 86 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 27) Finished k-point number 28 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 94) Finished k-point number 95 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 92) Finished k-point number 93 1 with #bands= 39 91) Finished k-point number 92 1 with #bands= 39 74) Finished k-point number 75 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 46) Finished k-point number 47 1 with #bands= 40 57) Finished k-point number 58 1 with #bands= 40 44) Finished k-point number 45 1 with #bands= 34 39) Finished k-point number 40 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 41) Finished k-point number 42 1 with #bands= 38 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5576812577887 Density= 63.0013094155392 62.9999999999000 EF 10.2855674256751 Density= 62.9599568633089 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.77597533 0.75597533 0.130942E-02 -0.400431E-01 1 0.77534204 0.77597533 -0.359640E-03 0.130942E-02 2 0.77547849 0.77597533 -0.443921E-05 0.130942E-02 3 0.77548019 0.77547849 0.227915E-08 -0.443921E-05 4 0.77548019 0.77548019 -0.639488E-13 0.227915E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0067366662 EF set to : 10.5509445915 new EF (no-mixing): 10.5509445915 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 Sum of eigenvalues= -369.776013045074 eV Ratio to renormalize= 0.999984079778273 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5509445915487 4) Finished k-point number 5 1 with #bands= 34 sumw= 1000.00000000000 36) Finished k-point number 37 1 with #bands= 36 beta....= 49.9999999999999 n0_om...= 201 10) Finished k-point number 11 1 with #bands= 40 2) Finished k-point number 3 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 0) Finished k-point number 1 1 with #bands= 39 73) Finished k-point number 74 1 with #bands= 36 9) Finished k-point number 10 1 with #bands= 34 42) Finished k-point number 43 1 with #bands= 36 26) Finished k-point number 27 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 5) Finished k-point number 6 1 with #bands= 40 1) Finished k-point number 2 1 with #bands= 37 3) Finished k-point number 4 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 7) Finished k-point number 8 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 23) Finished k-point number 24 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 98) Finished k-point number 99 1 with #bands= 38 59) Finished k-point number 60 1 with #bands= 34 69) Finished k-point number 70 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 93) Finished k-point number 94 1 with #bands= 38 15) Finished k-point number 16 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 80) Finished k-point number 81 1 with #bands= 40 27) Finished k-point number 28 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 30) Finished k-point number 31 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 95) Finished k-point number 96 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 38) Finished k-point number 39 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 84) Finished k-point number 85 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 64) Finished k-point number 65 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 79) Finished k-point number 80 1 with #bands= 40 97) Finished k-point number 98 1 with #bands= 39 53) Finished k-point number 54 1 with #bands= 33 56) Finished k-point number 57 1 with #bands= 33 67) Finished k-point number 68 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 90) Finished k-point number 91 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 65) Finished k-point number 66 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 83) Finished k-point number 84 1 with #bands= 37 89) Finished k-point number 90 1 with #bands= 36 87) Finished k-point number 88 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 92) Finished k-point number 93 1 with #bands= 39 78) Finished k-point number 79 1 with #bands= 33 91) Finished k-point number 92 1 with #bands= 39 82) Finished k-point number 83 1 with #bands= 38 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896817480701871 0.741743137112848 0.923695851808072 0.926782960727102 0.928537380764097 14) Finished k-point number 15 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 56) Finished k-point number 57 1 with #bands= 33 40) Finished k-point number 41 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 39) Finished k-point number 40 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 45) Finished k-point number 46 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 55) Finished k-point number 56 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 37) Finished k-point number 38 1 with #bands= 36 10) Finished k-point number 11 1 with #bands= 40 17) Finished k-point number 18 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 54) Finished k-point number 55 1 with #bands= 40 5) Finished k-point number 6 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 23) Finished k-point number 24 1 with #bands= 36 8) Finished k-point number 9 1 with #bands= 34 25) Finished k-point number 26 1 with #bands= 35 29) Finished k-point number 30 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 57) Finished k-point number 58 1 with #bands= 40 15) Finished k-point number 16 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 67) Finished k-point number 68 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 36 59) Finished k-point number 60 1 with #bands= 34 20) Finished k-point number 21 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 85) Finished k-point number 86 1 with #bands= 36 75) Finished k-point number 76 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 90) Finished k-point number 91 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 84) Finished k-point number 85 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 65) Finished k-point number 66 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 80) Finished k-point number 81 1 with #bands= 40 78) Finished k-point number 79 1 with #bands= 33 92) Finished k-point number 93 1 with #bands= 39 44) Finished k-point number 45 1 with #bands= 34 83) Finished k-point number 84 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 61) Finished k-point number 62 1 with #bands= 39 79) Finished k-point number 80 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 42) Finished k-point number 43 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5509445915487 Density= 62.9989589791501 62.9999999999000 EF 10.8230584236623 Density= 63.0662078184335 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.79548019 0.77548019 0.662078E-01 -0.104102E-02 1 0.78548019 0.77548021 0.246241E-01 -0.104102E-02 2 0.78048020 0.77547996 0.116410E-01 -0.104102E-02 3 0.77798008 0.77548009 0.563759E-02 -0.104102E-02 4 0.77673009 0.77548003 0.230852E-02 -0.104102E-02 5 0.77610506 0.77547982 0.620781E-03 -0.104102E-02 6 0.77587261 0.77610506 -0.209875E-05 0.620781E-03 7 0.77587339 0.77610506 -0.788646E-08 0.620781E-03 8 0.77587339 0.77610506 -0.710543E-14 0.620781E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0053497807 EF set to : 10.5562943722 new EF (no-mixing): 10.5562943722 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 37 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 37 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 Sum of eigenvalues= -369.705596692405 eV Ratio to renormalize= 0.999981806086905 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5562943722201 2) Finished k-point number 3 1 with #bands= 35 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 11) Finished k-point number 12 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 7) Finished k-point number 8 1 with #bands= 37 3) Finished k-point number 4 1 with #bands= 34 5) Finished k-point number 6 1 with #bands= 40 9) Finished k-point number 10 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 24) Finished k-point number 25 1 with #bands= 36 1) Finished k-point number 2 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 8) Finished k-point number 9 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 10) Finished k-point number 11 1 with #bands= 40 12) Finished k-point number 13 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 33) Finished k-point number 34 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 37) Finished k-point number 38 1 with #bands= 36 26) Finished k-point number 27 1 with #bands= 37 18) Finished k-point number 19 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 15) Finished k-point number 16 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 25) Finished k-point number 26 1 with #bands= 35 80) Finished k-point number 81 1 with #bands= 40 13) Finished k-point number 14 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 32) Finished k-point number 33 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 67) Finished k-point number 68 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 55) Finished k-point number 56 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 56) Finished k-point number 57 1 with #bands= 33 28) Finished k-point number 29 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 93) Finished k-point number 94 1 with #bands= 38 63) Finished k-point number 64 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 54) Finished k-point number 55 1 with #bands= 40 82) Finished k-point number 83 1 with #bands= 38 69) Finished k-point number 70 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 64) Finished k-point number 65 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 52) Finished k-point number 53 1 with #bands= 34 48) Finished k-point number 49 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 65) Finished k-point number 66 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 90) Finished k-point number 91 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 94) Finished k-point number 95 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 49) Finished k-point number 50 1 with #bands= 34 98) Finished k-point number 99 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 88) Finished k-point number 89 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 96) Finished k-point number 97 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 39) Finished k-point number 40 1 with #bands= 35 97) Finished k-point number 98 1 with #bands= 39 41) Finished k-point number 42 1 with #bands= 38 44) Finished k-point number 45 1 with #bands= 34 43) Finished k-point number 44 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896818362341638 0.741894636338627 0.923678634238684 0.926767333308422 0.928520862927551 96) Finished k-point number 97 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 97) Finished k-point number 98 1 with #bands= 39 19) Finished k-point number 20 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 92) Finished k-point number 93 1 with #bands= 39 12) Finished k-point number 13 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 38) Finished k-point number 39 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 53) Finished k-point number 54 1 with #bands= 33 39) Finished k-point number 40 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 3) Finished k-point number 4 1 with #bands= 34 49) Finished k-point number 50 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 25) Finished k-point number 26 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 9) Finished k-point number 10 1 with #bands= 34 50) Finished k-point number 51 1 with #bands= 34 20) Finished k-point number 21 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 47) Finished k-point number 48 1 with #bands= 38 89) Finished k-point number 90 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 71) Finished k-point number 72 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 22) Finished k-point number 23 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 14) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 69) Finished k-point number 70 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 5) Finished k-point number 6 1 with #bands= 40 78) Finished k-point number 79 1 with #bands= 33 0) Finished k-point number 1 1 with #bands= 39 54) Finished k-point number 55 1 with #bands= 40 45) Finished k-point number 46 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 57) Finished k-point number 58 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 75) Finished k-point number 76 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 40) Finished k-point number 41 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 79) Finished k-point number 80 1 with #bands= 40 77) Finished k-point number 78 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 73) Finished k-point number 74 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 81) Finished k-point number 82 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5562943722201 Density= 63.0053062632003 62.9999999999000 EF 10.2841805401065 Density= 62.9637279654649 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.77587339 0.75587340 0.530626E-02 -0.362720E-01 1 0.77332098 0.77587339 -0.103136E-02 0.530626E-02 2 0.77373635 0.77587339 -0.757927E-04 0.530626E-02 3 0.77376883 0.77373635 0.858346E-07 -0.757927E-04 4 0.77376879 0.77376883 -0.985594E-10 0.858346E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0286345923 EF set to : 10.5276597799 new EF (no-mixing): 10.5276597799 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -369.669564799842 eV Ratio to renormalize= 0.999987461394186 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.5276597798901 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 3) Finished k-point number 4 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 9) Finished k-point number 10 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 17) Finished k-point number 18 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 4) Finished k-point number 5 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 74) Finished k-point number 75 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 16) Finished k-point number 17 1 with #bands= 39 82) Finished k-point number 83 1 with #bands= 38 23) Finished k-point number 24 1 with #bands= 36 75) Finished k-point number 76 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 73) Finished k-point number 74 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 54) Finished k-point number 55 1 with #bands= 40 12) Finished k-point number 13 1 with #bands= 36 38) Finished k-point number 39 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 80) Finished k-point number 81 1 with #bands= 40 31) Finished k-point number 32 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 26) Finished k-point number 27 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 93) Finished k-point number 94 1 with #bands= 38 36) Finished k-point number 37 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 42) Finished k-point number 43 1 with #bands= 36 30) Finished k-point number 31 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 59) Finished k-point number 60 1 with #bands= 34 49) Finished k-point number 50 1 with #bands= 34 28) Finished k-point number 29 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 38 24) Finished k-point number 25 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 53) Finished k-point number 54 1 with #bands= 33 25) Finished k-point number 26 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 62) Finished k-point number 63 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 47) Finished k-point number 48 1 with #bands= 38 97) Finished k-point number 98 1 with #bands= 39 69) Finished k-point number 70 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 78) Finished k-point number 79 1 with #bands= 33 44) Finished k-point number 45 1 with #bands= 34 65) Finished k-point number 66 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 60) Finished k-point number 61 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 98) Finished k-point number 99 1 with #bands= 38 84) Finished k-point number 85 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 87) Finished k-point number 88 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 89) Finished k-point number 90 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896942819905656 0.743459396920646 0.923618853209032 0.926713132970820 0.928473665234416 33) Finished k-point number 34 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 12) Finished k-point number 13 1 with #bands= 36 20) Finished k-point number 21 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 53) Finished k-point number 54 1 with #bands= 33 96) Finished k-point number 97 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 30) Finished k-point number 31 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 28) Finished k-point number 29 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 35) Finished k-point number 36 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 62) Finished k-point number 63 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 39) Finished k-point number 40 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 89) Finished k-point number 90 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 11) Finished k-point number 12 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 7) Finished k-point number 8 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 87) Finished k-point number 88 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 65) Finished k-point number 66 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 75) Finished k-point number 76 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 93) Finished k-point number 94 1 with #bands= 38 5) Finished k-point number 6 1 with #bands= 40 94) Finished k-point number 95 1 with #bands= 37 0) Finished k-point number 1 1 with #bands= 39 91) Finished k-point number 92 1 with #bands= 39 92) Finished k-point number 93 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 73) Finished k-point number 74 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 77) Finished k-point number 78 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 44) Finished k-point number 45 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 45) Finished k-point number 46 1 with #bands= 34 76) Finished k-point number 77 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 72) Finished k-point number 73 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 38 46) Finished k-point number 47 1 with #bands= 40 80) Finished k-point number 81 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.5276597798901 Density= 63.0052775370242 62.9999999999000 EF 10.2555459477765 Density= 62.9650684978588 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.77376879 0.75376879 0.527754E-02 -0.349315E-01 1 0.77114374 0.77376879 -0.419354E-03 0.527754E-02 2 0.77133697 0.77376879 -0.202913E-04 0.527754E-02 3 0.77134676 0.77376879 -0.247133E-07 0.527754E-02 4 0.77134677 0.77376879 -0.147793E-11 0.527754E-02 Absolute convergence of |F(X)|. Difference in EF too large to mix -3.295322770975087E-002 cutoff= 2.9999999E-02 Difference in EF= -0.0329532277 EF set to : 10.4947065522 new EF (no-mixing): 10.4947065522 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -369.522894261963 eV Ratio to renormalize= 0.999965076301547 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.4947065521804 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 1) Finished k-point number 2 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 5) Finished k-point number 6 1 with #bands= 40 18) Finished k-point number 19 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 11) Finished k-point number 12 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 34 16) Finished k-point number 17 1 with #bands= 39 0) Finished k-point number 1 1 with #bands= 39 3) Finished k-point number 4 1 with #bands= 34 4) Finished k-point number 5 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 9) Finished k-point number 10 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 50) Finished k-point number 51 1 with #bands= 34 7) Finished k-point number 8 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 19) Finished k-point number 20 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 80) Finished k-point number 81 1 with #bands= 40 28) Finished k-point number 29 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 38) Finished k-point number 39 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 89) Finished k-point number 90 1 with #bands= 36 51) Finished k-point number 52 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 46) Finished k-point number 47 1 with #bands= 40 87) Finished k-point number 88 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 22) Finished k-point number 23 1 with #bands= 35 44) Finished k-point number 45 1 with #bands= 34 93) Finished k-point number 94 1 with #bands= 38 90) Finished k-point number 91 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 98) Finished k-point number 99 1 with #bands= 38 39) Finished k-point number 40 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 12) Finished k-point number 13 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 95) Finished k-point number 96 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 55) Finished k-point number 56 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 85) Finished k-point number 86 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 48) Finished k-point number 49 1 with #bands= 36 43) Finished k-point number 44 1 with #bands= 36 30) Finished k-point number 31 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 57) Finished k-point number 58 1 with #bands= 40 32) Finished k-point number 33 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 86) Finished k-point number 87 1 with #bands= 37 24) Finished k-point number 25 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 29) Finished k-point number 30 1 with #bands= 35 92) Finished k-point number 93 1 with #bands= 39 35) Finished k-point number 36 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 72) Finished k-point number 73 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 33) Finished k-point number 34 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 38 60) Finished k-point number 61 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 74) Finished k-point number 75 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 62) Finished k-point number 63 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 68) Finished k-point number 69 1 with #bands= 36 70) Finished k-point number 71 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 63) Finished k-point number 64 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896947525307847 0.743456511390222 0.923610278766433 0.926705578476905 0.928471466587297 19) Finished k-point number 20 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 85) Finished k-point number 86 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 12) Finished k-point number 13 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 98) Finished k-point number 99 1 with #bands= 38 23) Finished k-point number 24 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 53) Finished k-point number 54 1 with #bands= 33 4) Finished k-point number 5 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 15) Finished k-point number 16 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 33) Finished k-point number 34 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 40) Finished k-point number 41 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 34) Finished k-point number 35 1 with #bands= 35 37) Finished k-point number 38 1 with #bands= 36 50) Finished k-point number 51 1 with #bands= 34 52) Finished k-point number 53 1 with #bands= 34 36) Finished k-point number 37 1 with #bands= 36 59) Finished k-point number 60 1 with #bands= 34 24) Finished k-point number 25 1 with #bands= 36 30) Finished k-point number 31 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 55) Finished k-point number 56 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 51) Finished k-point number 52 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 6) Finished k-point number 7 1 with #bands= 38 93) Finished k-point number 94 1 with #bands= 38 82) Finished k-point number 83 1 with #bands= 38 5) Finished k-point number 6 1 with #bands= 40 0) Finished k-point number 1 1 with #bands= 39 76) Finished k-point number 77 1 with #bands= 35 10) Finished k-point number 11 1 with #bands= 40 54) Finished k-point number 55 1 with #bands= 40 68) Finished k-point number 69 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 38) Finished k-point number 39 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 70) Finished k-point number 71 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 72) Finished k-point number 73 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 65) Finished k-point number 66 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 38 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 78) Finished k-point number 79 1 with #bands= 33 75) Finished k-point number 76 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 80) Finished k-point number 81 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.4947065521804 Density= 63.0038890167926 62.9999999999000 EF 10.2225927200668 Density= 62.9640082675567 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.77134677 0.75134677 0.388902E-02 -0.359917E-01 1 0.76939645 0.77134677 -0.896803E-04 0.388902E-02 2 0.76944041 0.77134677 -0.110948E-05 0.388902E-02 3 0.76944096 0.77134677 -0.106340E-09 0.388902E-02 4 0.76944096 0.76944096 0.952056E-10 -0.106340E-09 Absolute convergence of |F(X)|. Difference in EF= -0.0259298870 EF set to : 10.4687766652 new EF (no-mixing): 10.4687766652 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 42 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 Sum of eigenvalues= -369.498633493621 eV Ratio to renormalize= 0.999956844463757 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.4687766652143 sumw= 1000.00000000000 beta....= 49.9999999999999 n0_om...= 201 7) Finished k-point number 8 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 8) Finished k-point number 9 1 with #bands= 34 16) Finished k-point number 17 1 with #bands= 39 0) Finished k-point number 1 1 with #bands= 39 20) Finished k-point number 21 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 4) Finished k-point number 5 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 12) Finished k-point number 13 1 with #bands= 36 9) Finished k-point number 10 1 with #bands= 34 17) Finished k-point number 18 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 18) Finished k-point number 19 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 34 42) Finished k-point number 43 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 1) Finished k-point number 2 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 5) Finished k-point number 6 1 with #bands= 40 26) Finished k-point number 27 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 62) Finished k-point number 63 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 64) Finished k-point number 65 1 with #bands= 36 68) Finished k-point number 69 1 with #bands= 36 27) Finished k-point number 28 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 24) Finished k-point number 25 1 with #bands= 36 31) Finished k-point number 32 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 71) Finished k-point number 72 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 34) Finished k-point number 35 1 with #bands= 35 39) Finished k-point number 40 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 96) Finished k-point number 97 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 32) Finished k-point number 33 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 40) Finished k-point number 41 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 83) Finished k-point number 84 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 52) Finished k-point number 53 1 with #bands= 34 37) Finished k-point number 38 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 94) Finished k-point number 95 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 54) Finished k-point number 55 1 with #bands= 40 95) Finished k-point number 96 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 50) Finished k-point number 51 1 with #bands= 34 57) Finished k-point number 58 1 with #bands= 40 55) Finished k-point number 56 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 77) Finished k-point number 78 1 with #bands= 36 48) Finished k-point number 49 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 97) Finished k-point number 98 1 with #bands= 39 36) Finished k-point number 37 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 88) Finished k-point number 89 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 91) Finished k-point number 92 1 with #bands= 39 82) Finished k-point number 83 1 with #bands= 38 43) Finished k-point number 44 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 80) Finished k-point number 81 1 with #bands= 40 89) Finished k-point number 90 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896834105967802 0.742245862553900 0.923632044990216 0.926724711310592 0.928486374704032 43) Finished k-point number 44 1 with #bands= 36 12) Finished k-point number 13 1 with #bands= 36 62) Finished k-point number 63 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 76) Finished k-point number 77 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 44) Finished k-point number 45 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 53) Finished k-point number 54 1 with #bands= 33 4) Finished k-point number 5 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 42) Finished k-point number 43 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 39) Finished k-point number 40 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 1) Finished k-point number 2 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 60) Finished k-point number 61 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 59) Finished k-point number 60 1 with #bands= 34 71) Finished k-point number 72 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 55) Finished k-point number 56 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 14) Finished k-point number 15 1 with #bands= 34 0) Finished k-point number 1 1 with #bands= 39 18) Finished k-point number 19 1 with #bands= 35 83) Finished k-point number 84 1 with #bands= 37 48) Finished k-point number 49 1 with #bands= 36 13) Finished k-point number 14 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 10) Finished k-point number 11 1 with #bands= 40 47) Finished k-point number 48 1 with #bands= 38 23) Finished k-point number 24 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 65) Finished k-point number 66 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 63) Finished k-point number 64 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 79) Finished k-point number 80 1 with #bands= 40 29) Finished k-point number 30 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 15) Finished k-point number 16 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 33) Finished k-point number 34 1 with #bands= 35 73) Finished k-point number 74 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 46) Finished k-point number 47 1 with #bands= 40 34) Finished k-point number 35 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 85) Finished k-point number 86 1 with #bands= 36 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 89) Finished k-point number 90 1 with #bands= 36 16) Finished k-point number 17 1 with #bands= 39 82) Finished k-point number 83 1 with #bands= 38 57) Finished k-point number 58 1 with #bands= 40 28) Finished k-point number 29 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 75) Finished k-point number 76 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 35) Finished k-point number 36 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 5) Finished k-point number 6 1 with #bands= 40 92) Finished k-point number 93 1 with #bands= 39 40) Finished k-point number 41 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 77) Finished k-point number 78 1 with #bands= 36 74) Finished k-point number 75 1 with #bands= 36 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.4687766652143 Density= 63.0009787991915 62.9999999999000 EF 10.1966628331007 Density= 62.9611261859313 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.76944096 0.74944096 0.978799E-03 -0.388738E-01 1 0.76894975 0.76944096 -0.117435E-04 0.978799E-03 2 0.76895558 0.76944096 -0.193068E-07 0.978799E-03 3 0.76895559 0.76944096 -0.497380E-13 0.978799E-03 Absolute convergence of |F(X)|. Difference in EF= -0.0066038815 EF set to : 10.4621727837 new EF (no-mixing): 10.4621727837 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 Sum of eigenvalues= -369.549034636149 eV Ratio to renormalize= 0.999950637190001 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.4621727836867 4) Finished k-point number 5 1 with #bands= 34 sumw= 1000.00000000000 9) Finished k-point number 10 1 with #bands= 34 5) Finished k-point number 6 1 with #bands= 40 7) Finished k-point number 8 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 beta....= 49.9999999999999 n0_om...= 201 10) Finished k-point number 11 1 with #bands= 40 27) Finished k-point number 28 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 2) Finished k-point number 3 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 33) Finished k-point number 34 1 with #bands= 35 63) Finished k-point number 64 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 23) Finished k-point number 24 1 with #bands= 36 0) Finished k-point number 1 1 with #bands= 39 60) Finished k-point number 61 1 with #bands= 37 30) Finished k-point number 31 1 with #bands= 36 71) Finished k-point number 72 1 with #bands= 35 24) Finished k-point number 25 1 with #bands= 36 6) Finished k-point number 7 1 with #bands= 38 54) Finished k-point number 55 1 with #bands= 40 28) Finished k-point number 29 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 15) Finished k-point number 16 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 58) Finished k-point number 59 1 with #bands= 35 39) Finished k-point number 40 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 59) Finished k-point number 60 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 26) Finished k-point number 27 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 73) Finished k-point number 74 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 61) Finished k-point number 62 1 with #bands= 39 62) Finished k-point number 63 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 21) Finished k-point number 22 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 49) Finished k-point number 50 1 with #bands= 34 97) Finished k-point number 98 1 with #bands= 39 53) Finished k-point number 54 1 with #bands= 33 83) Finished k-point number 84 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 57) Finished k-point number 58 1 with #bands= 40 20) Finished k-point number 21 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 16) Finished k-point number 17 1 with #bands= 39 89) Finished k-point number 90 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 46) Finished k-point number 47 1 with #bands= 40 50) Finished k-point number 51 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 37) Finished k-point number 38 1 with #bands= 36 78) Finished k-point number 79 1 with #bands= 33 75) Finished k-point number 76 1 with #bands= 35 81) Finished k-point number 82 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 93) Finished k-point number 94 1 with #bands= 38 96) Finished k-point number 97 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 91) Finished k-point number 92 1 with #bands= 39 98) Finished k-point number 99 1 with #bands= 38 85) Finished k-point number 86 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 74) Finished k-point number 75 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 40) Finished k-point number 41 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 41) Finished k-point number 42 1 with #bands= 38 84) Finished k-point number 85 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896834794106755 0.742237165833291 0.923629412874463 0.926722371248105 0.928485188184786 37) Finished k-point number 38 1 with #bands= 36 29) Finished k-point number 30 1 with #bands= 35 33) Finished k-point number 34 1 with #bands= 35 25) Finished k-point number 26 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 28) Finished k-point number 29 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 32) Finished k-point number 33 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 48) Finished k-point number 49 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 67) Finished k-point number 68 1 with #bands= 35 60) Finished k-point number 61 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 62) Finished k-point number 63 1 with #bands= 37 40) Finished k-point number 41 1 with #bands= 35 65) Finished k-point number 66 1 with #bands= 37 44) Finished k-point number 45 1 with #bands= 34 45) Finished k-point number 46 1 with #bands= 34 43) Finished k-point number 44 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 4) Finished k-point number 5 1 with #bands= 34 39) Finished k-point number 40 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 74) Finished k-point number 75 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 3) Finished k-point number 4 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 9) Finished k-point number 10 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 77) Finished k-point number 78 1 with #bands= 36 70) Finished k-point number 71 1 with #bands= 35 83) Finished k-point number 84 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 84) Finished k-point number 85 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 71) Finished k-point number 72 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 27) Finished k-point number 28 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 51) Finished k-point number 52 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 98) Finished k-point number 99 1 with #bands= 38 1) Finished k-point number 2 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 95) Finished k-point number 96 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 66) Finished k-point number 67 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 21) Finished k-point number 22 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 15) Finished k-point number 16 1 with #bands= 37 94) Finished k-point number 95 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 80) Finished k-point number 81 1 with #bands= 40 93) Finished k-point number 94 1 with #bands= 38 0) Finished k-point number 1 1 with #bands= 39 92) Finished k-point number 93 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 20) Finished k-point number 21 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 54) Finished k-point number 55 1 with #bands= 40 76) Finished k-point number 77 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 16) Finished k-point number 17 1 with #bands= 39 38) Finished k-point number 39 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 82) Finished k-point number 83 1 with #bands= 38 73) Finished k-point number 74 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 79) Finished k-point number 80 1 with #bands= 40 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.4621727836867 Density= 62.9968186013201 62.9999999999000 EF 10.7342866158003 Density= 63.0463334678421 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.78895558 0.76895559 0.463335E-01 -0.318140E-02 1 0.77895558 0.76895560 0.205121E-01 -0.318140E-02 2 0.77395559 0.76895536 0.746423E-02 -0.318140E-02 3 0.77145548 0.76895548 0.193630E-02 -0.318140E-02 4 0.77053057 0.76895548 0.206635E-04 -0.318140E-02 5 0.77052052 0.76895548 0.431067E-07 -0.318140E-02 6 0.77052050 0.76895548 0.802913E-12 -0.318140E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0212917715 EF set to : 10.4834645552 new EF (no-mixing): 10.4834645552 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 41 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 Sum of eigenvalues= -369.549965547267 eV Ratio to renormalize= 0.999987379305743 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.4834645551876 sumw= 1000.00000000000 3) Finished k-point number 4 1 with #bands= 34 beta....= 49.9999999999999 n0_om...= 201 9) Finished k-point number 10 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 2) Finished k-point number 3 1 with #bands= 35 7) Finished k-point number 8 1 with #bands= 37 22) Finished k-point number 23 1 with #bands= 35 35) Finished k-point number 36 1 with #bands= 37 5) Finished k-point number 6 1 with #bands= 40 8) Finished k-point number 9 1 with #bands= 34 1) Finished k-point number 2 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 11) Finished k-point number 12 1 with #bands= 37 53) Finished k-point number 54 1 with #bands= 33 43) Finished k-point number 44 1 with #bands= 36 0) Finished k-point number 1 1 with #bands= 39 4) Finished k-point number 5 1 with #bands= 34 21) Finished k-point number 22 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 95) Finished k-point number 96 1 with #bands= 37 51) Finished k-point number 52 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 19) Finished k-point number 20 1 with #bands= 35 57) Finished k-point number 58 1 with #bands= 40 38) Finished k-point number 39 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 31) Finished k-point number 32 1 with #bands= 37 55) Finished k-point number 56 1 with #bands= 35 85) Finished k-point number 86 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 79) Finished k-point number 80 1 with #bands= 40 15) Finished k-point number 16 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 34 33) Finished k-point number 34 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 13) Finished k-point number 14 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 88) Finished k-point number 89 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 84) Finished k-point number 85 1 with #bands= 37 56) Finished k-point number 57 1 with #bands= 33 18) Finished k-point number 19 1 with #bands= 35 34) Finished k-point number 35 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 92) Finished k-point number 93 1 with #bands= 39 32) Finished k-point number 33 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 25) Finished k-point number 26 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 54) Finished k-point number 55 1 with #bands= 40 50) Finished k-point number 51 1 with #bands= 34 40) Finished k-point number 41 1 with #bands= 35 65) Finished k-point number 66 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 46) Finished k-point number 47 1 with #bands= 40 75) Finished k-point number 76 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 52) Finished k-point number 53 1 with #bands= 34 67) Finished k-point number 68 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 72) Finished k-point number 73 1 with #bands= 37 47) Finished k-point number 48 1 with #bands= 38 86) Finished k-point number 87 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 64) Finished k-point number 65 1 with #bands= 36 93) Finished k-point number 94 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 89) Finished k-point number 90 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 37) Finished k-point number 38 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 66) Finished k-point number 67 1 with #bands= 37 39) Finished k-point number 40 1 with #bands= 35 74) Finished k-point number 75 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 61) Finished k-point number 62 1 with #bands= 39 44) Finished k-point number 45 1 with #bands= 34 62) Finished k-point number 63 1 with #bands= 37 70) Finished k-point number 71 1 with #bands= 35 96) Finished k-point number 97 1 with #bands= 37 82) Finished k-point number 83 1 with #bands= 38 41) Finished k-point number 42 1 with #bands= 38 80) Finished k-point number 81 1 with #bands= 40 78) Finished k-point number 79 1 with #bands= 33 36) Finished k-point number 37 1 with #bands= 36 97) Finished k-point number 98 1 with #bands= 39 77) Finished k-point number 78 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 81) Finished k-point number 82 1 with #bands= 38 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896941188619202 0.743314111701695 0.923624185276456 0.926718754479428 0.928481731883423 39) Finished k-point number 40 1 with #bands= 35 49) Finished k-point number 50 1 with #bands= 34 78) Finished k-point number 79 1 with #bands= 33 64) Finished k-point number 65 1 with #bands= 36 48) Finished k-point number 49 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 97) Finished k-point number 98 1 with #bands= 39 60) Finished k-point number 61 1 with #bands= 37 45) Finished k-point number 46 1 with #bands= 34 44) Finished k-point number 45 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 75) Finished k-point number 76 1 with #bands= 35 71) Finished k-point number 72 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 4) Finished k-point number 5 1 with #bands= 34 42) Finished k-point number 43 1 with #bands= 36 36) Finished k-point number 37 1 with #bands= 36 53) Finished k-point number 54 1 with #bands= 33 74) Finished k-point number 75 1 with #bands= 36 66) Finished k-point number 67 1 with #bands= 37 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 56) Finished k-point number 57 1 with #bands= 33 9) Finished k-point number 10 1 with #bands= 34 63) Finished k-point number 64 1 with #bands= 37 77) Finished k-point number 78 1 with #bands= 36 69) Finished k-point number 70 1 with #bands= 37 88) Finished k-point number 89 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 2) Finished k-point number 3 1 with #bands= 35 70) Finished k-point number 71 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 41) Finished k-point number 42 1 with #bands= 38 52) Finished k-point number 53 1 with #bands= 34 72) Finished k-point number 73 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 96) Finished k-point number 97 1 with #bands= 37 83) Finished k-point number 84 1 with #bands= 37 85) Finished k-point number 86 1 with #bands= 36 55) Finished k-point number 56 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 17) Finished k-point number 18 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 68) Finished k-point number 69 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 35 51) Finished k-point number 52 1 with #bands= 35 22) Finished k-point number 23 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 11) Finished k-point number 12 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 7) Finished k-point number 8 1 with #bands= 37 1) Finished k-point number 2 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 12) Finished k-point number 13 1 with #bands= 36 90) Finished k-point number 91 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 84) Finished k-point number 85 1 with #bands= 37 29) Finished k-point number 30 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 62) Finished k-point number 63 1 with #bands= 37 33) Finished k-point number 34 1 with #bands= 35 6) Finished k-point number 7 1 with #bands= 38 21) Finished k-point number 22 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 94) Finished k-point number 95 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 80) Finished k-point number 81 1 with #bands= 40 93) Finished k-point number 94 1 with #bands= 38 5) Finished k-point number 6 1 with #bands= 40 34) Finished k-point number 35 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 91) Finished k-point number 92 1 with #bands= 39 0) Finished k-point number 1 1 with #bands= 39 10) Finished k-point number 11 1 with #bands= 40 92) Finished k-point number 93 1 with #bands= 39 61) Finished k-point number 62 1 with #bands= 39 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 54) Finished k-point number 55 1 with #bands= 40 40) Finished k-point number 41 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 57) Finished k-point number 58 1 with #bands= 40 32) Finished k-point number 33 1 with #bands= 37 31) Finished k-point number 32 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 37) Finished k-point number 38 1 with #bands= 36 73) Finished k-point number 74 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 38 82) Finished k-point number 83 1 with #bands= 38 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.4834645551876 Density= 62.9989887783277 62.9999999999000 EF 10.7555783873012 Density= 63.0517893100093 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.79052050 0.77052050 0.517893E-01 -0.101122E-02 1 0.78052050 0.77052052 0.232063E-01 -0.101122E-02 2 0.77552051 0.77052027 0.104576E-01 -0.101122E-02 3 0.77302039 0.77052040 0.432644E-02 -0.101122E-02 4 0.77177039 0.77052033 0.160061E-02 -0.101122E-02 5 0.77114536 0.77052060 0.284789E-03 -0.101122E-02 6 0.77100888 0.77052060 0.290786E-06 -0.101122E-02 7 0.77100874 0.77052060 0.500080E-10 -0.101122E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0066427955 EF set to : 10.4901073506 new EF (no-mixing): 10.4901073506 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 40 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 39 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 Sum of eigenvalues= -369.508603435722 eV Ratio to renormalize= 0.999980281781532 nargs= 1 argi=dmft2.def Emin,Emax= 0.2825680624 1.1645518732 imatsubara= 1 gammac= 0.02500 gamma= 0.02500 Found EF.dat and EF is 10.4901073506444 75) Finished k-point number 76 1 with #bands= 35 3) Finished k-point number 4 1 with #bands= 34 8) Finished k-point number 9 1 with #bands= 34 sumw= 1000.00000000000 1) Finished k-point number 2 1 with #bands= 37 4) Finished k-point number 5 1 with #bands= 34 6) Finished k-point number 7 1 with #bands= 38 7) Finished k-point number 8 1 with #bands= 37 beta....= 49.9999999999999 n0_om...= 201 12) Finished k-point number 13 1 with #bands= 36 46) Finished k-point number 47 1 with #bands= 40 51) Finished k-point number 52 1 with #bands= 35 58) Finished k-point number 59 1 with #bands= 35 36) Finished k-point number 37 1 with #bands= 36 22) Finished k-point number 23 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 35 0) Finished k-point number 1 1 with #bands= 39 11) Finished k-point number 12 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 9) Finished k-point number 10 1 with #bands= 34 13) Finished k-point number 14 1 with #bands= 35 19) Finished k-point number 20 1 with #bands= 35 10) Finished k-point number 11 1 with #bands= 40 40) Finished k-point number 41 1 with #bands= 35 5) Finished k-point number 6 1 with #bands= 40 78) Finished k-point number 79 1 with #bands= 33 72) Finished k-point number 73 1 with #bands= 37 37) Finished k-point number 38 1 with #bands= 36 86) Finished k-point number 87 1 with #bands= 37 42) Finished k-point number 43 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 36 45) Finished k-point number 46 1 with #bands= 34 70) Finished k-point number 71 1 with #bands= 35 76) Finished k-point number 77 1 with #bands= 35 82) Finished k-point number 83 1 with #bands= 38 81) Finished k-point number 82 1 with #bands= 38 48) Finished k-point number 49 1 with #bands= 36 41) Finished k-point number 42 1 with #bands= 38 80) Finished k-point number 81 1 with #bands= 40 44) Finished k-point number 45 1 with #bands= 34 74) Finished k-point number 75 1 with #bands= 36 57) Finished k-point number 58 1 with #bands= 40 15) Finished k-point number 16 1 with #bands= 37 16) Finished k-point number 17 1 with #bands= 39 39) Finished k-point number 40 1 with #bands= 35 64) Finished k-point number 65 1 with #bands= 36 65) Finished k-point number 66 1 with #bands= 37 23) Finished k-point number 24 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 20) Finished k-point number 21 1 with #bands= 37 21) Finished k-point number 22 1 with #bands= 37 71) Finished k-point number 72 1 with #bands= 35 87) Finished k-point number 88 1 with #bands= 37 38) Finished k-point number 39 1 with #bands= 35 14) Finished k-point number 15 1 with #bands= 34 85) Finished k-point number 86 1 with #bands= 36 95) Finished k-point number 96 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 18) Finished k-point number 19 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 89) Finished k-point number 90 1 with #bands= 36 52) Finished k-point number 53 1 with #bands= 34 66) Finished k-point number 67 1 with #bands= 37 17) Finished k-point number 18 1 with #bands= 35 54) Finished k-point number 55 1 with #bands= 40 29) Finished k-point number 30 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 26) Finished k-point number 27 1 with #bands= 37 49) Finished k-point number 50 1 with #bands= 34 53) Finished k-point number 54 1 with #bands= 33 94) Finished k-point number 95 1 with #bands= 37 59) Finished k-point number 60 1 with #bands= 34 33) Finished k-point number 34 1 with #bands= 35 47) Finished k-point number 48 1 with #bands= 38 32) Finished k-point number 33 1 with #bands= 37 50) Finished k-point number 51 1 with #bands= 34 24) Finished k-point number 25 1 with #bands= 36 27) Finished k-point number 28 1 with #bands= 37 28) Finished k-point number 29 1 with #bands= 37 34) Finished k-point number 35 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 35) Finished k-point number 36 1 with #bands= 37 60) Finished k-point number 61 1 with #bands= 37 92) Finished k-point number 93 1 with #bands= 39 31) Finished k-point number 32 1 with #bands= 37 67) Finished k-point number 68 1 with #bands= 35 69) Finished k-point number 70 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 91) Finished k-point number 92 1 with #bands= 39 61) Finished k-point number 62 1 with #bands= 39 63) Finished k-point number 64 1 with #bands= 37 93) Finished k-point number 94 1 with #bands= 38 73) Finished k-point number 74 1 with #bands= 36 88) Finished k-point number 89 1 with #bands= 35 43) Finished k-point number 44 1 with #bands= 36 98) Finished k-point number 99 1 with #bands= 38 96) Finished k-point number 97 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.896940381426091 0.743382189834771 0.923619286620834 0.926714262145707 0.928475409801197 59) Finished k-point number 60 1 with #bands= 34 71) Finished k-point number 72 1 with #bands= 35 48) Finished k-point number 49 1 with #bands= 36 60) Finished k-point number 61 1 with #bands= 37 84) Finished k-point number 85 1 with #bands= 37 97) Finished k-point number 98 1 with #bands= 39 22) Finished k-point number 23 1 with #bands= 35 13) Finished k-point number 14 1 with #bands= 35 17) Finished k-point number 18 1 with #bands= 35 12) Finished k-point number 13 1 with #bands= 36 94) Finished k-point number 95 1 with #bands= 37 25) Finished k-point number 26 1 with #bands= 35 23) Finished k-point number 24 1 with #bands= 36 40) Finished k-point number 41 1 with #bands= 35 20) Finished k-point number 21 1 with #bands= 37 15) Finished k-point number 16 1 with #bands= 37 43) Finished k-point number 44 1 with #bands= 36 42) Finished k-point number 43 1 with #bands= 36 44) Finished k-point number 45 1 with #bands= 34 38) Finished k-point number 39 1 with #bands= 35 16) Finished k-point number 17 1 with #bands= 39 53) Finished k-point number 54 1 with #bands= 33 4) Finished k-point number 5 1 with #bands= 34 33) Finished k-point number 34 1 with #bands= 35 39) Finished k-point number 40 1 with #bands= 35 8) Finished k-point number 9 1 with #bands= 34 3) Finished k-point number 4 1 with #bands= 34 88) Finished k-point number 89 1 with #bands= 35 56) Finished k-point number 57 1 with #bands= 33 9) Finished k-point number 10 1 with #bands= 34 49) Finished k-point number 50 1 with #bands= 34 29) Finished k-point number 30 1 with #bands= 35 50) Finished k-point number 51 1 with #bands= 34 34) Finished k-point number 35 1 with #bands= 35 67) Finished k-point number 68 1 with #bands= 35 2) Finished k-point number 3 1 with #bands= 35 41) Finished k-point number 42 1 with #bands= 38 70) Finished k-point number 71 1 with #bands= 35 52) Finished k-point number 53 1 with #bands= 34 85) Finished k-point number 86 1 with #bands= 36 96) Finished k-point number 97 1 with #bands= 37 14) Finished k-point number 15 1 with #bands= 34 19) Finished k-point number 20 1 with #bands= 35 18) Finished k-point number 19 1 with #bands= 35 55) Finished k-point number 56 1 with #bands= 35 30) Finished k-point number 31 1 with #bands= 36 24) Finished k-point number 25 1 with #bands= 36 89) Finished k-point number 90 1 with #bands= 36 64) Finished k-point number 65 1 with #bands= 36 47) Finished k-point number 48 1 with #bands= 38 51) Finished k-point number 52 1 with #bands= 35 28) Finished k-point number 29 1 with #bands= 37 68) Finished k-point number 69 1 with #bands= 36 58) Finished k-point number 59 1 with #bands= 35 31) Finished k-point number 32 1 with #bands= 37 46) Finished k-point number 47 1 with #bands= 40 32) Finished k-point number 33 1 with #bands= 37 90) Finished k-point number 91 1 with #bands= 37 27) Finished k-point number 28 1 with #bands= 37 26) Finished k-point number 27 1 with #bands= 37 35) Finished k-point number 36 1 with #bands= 37 11) Finished k-point number 12 1 with #bands= 37 87) Finished k-point number 88 1 with #bands= 37 86) Finished k-point number 87 1 with #bands= 37 98) Finished k-point number 99 1 with #bands= 38 1) Finished k-point number 2 1 with #bands= 37 7) Finished k-point number 8 1 with #bands= 37 95) Finished k-point number 96 1 with #bands= 37 65) Finished k-point number 66 1 with #bands= 37 78) Finished k-point number 79 1 with #bands= 33 21) Finished k-point number 22 1 with #bands= 37 69) Finished k-point number 70 1 with #bands= 37 63) Finished k-point number 64 1 with #bands= 37 66) Finished k-point number 67 1 with #bands= 37 62) Finished k-point number 63 1 with #bands= 37 6) Finished k-point number 7 1 with #bands= 38 93) Finished k-point number 94 1 with #bands= 38 91) Finished k-point number 92 1 with #bands= 39 5) Finished k-point number 6 1 with #bands= 40 92) Finished k-point number 93 1 with #bands= 39 73) Finished k-point number 74 1 with #bands= 36 76) Finished k-point number 77 1 with #bands= 35 0) Finished k-point number 1 1 with #bands= 39 45) Finished k-point number 46 1 with #bands= 34 10) Finished k-point number 11 1 with #bands= 40 61) Finished k-point number 62 1 with #bands= 39 54) Finished k-point number 55 1 with #bands= 40 57) Finished k-point number 58 1 with #bands= 40 36) Finished k-point number 37 1 with #bands= 36 77) Finished k-point number 78 1 with #bands= 36 81) Finished k-point number 82 1 with #bands= 38 37) Finished k-point number 38 1 with #bands= 36 82) Finished k-point number 83 1 with #bands= 38 80) Finished k-point number 81 1 with #bands= 40 75) Finished k-point number 76 1 with #bands= 35 79) Finished k-point number 80 1 with #bands= 40 74) Finished k-point number 75 1 with #bands= 36 83) Finished k-point number 84 1 with #bands= 37 72) Finished k-point number 73 1 with #bands= 37 Data-size pr_processor[MBy]= 0.3051758 Total datasize is[MBy]= 36.62109 max_nbands= 40 nomega= 500 pr_proc= 1 nprocs= 120 EF 10.4901073506444 Density= 62.9991341647329 62.9999999999000 EF 10.7622211827580 Density= 63.0529262678512 62.9999999999000 Brent's Method Step XA XB F(XA) F(XB) 0 0.79100874 0.77100874 0.529263E-01 -0.865835E-03 1 0.78100874 0.77100876 0.233848E-01 -0.865835E-03 2 0.77600875 0.77100851 0.108154E-01 -0.865835E-03 3 0.77350863 0.77100863 0.453015E-02 -0.865835E-03 4 0.77225863 0.77100857 0.175839E-02 -0.865835E-03 5 0.77163360 0.77100884 0.433106E-03 -0.865835E-03 6 0.77142665 0.77100884 0.477219E-06 -0.865835E-03 7 0.77142642 0.77100884 0.138499E-09 -0.865835E-03 8 0.77142642 0.77142642 -0.699529E-10 0.138499E-09 Absolute convergence of |F(X)|. Difference in EF= 0.0056829017 EF set to : 10.4957902523 new EF (no-mixing): 10.4957902523 mpr_proc= 1 myrank= 0 nprocs= 120 nkpt= 100 4) Finished k-point 5 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 36 29) Finished k-point 30 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 67) Finished k-point 68 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 33) Finished k-point 34 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 2) Finished k-point 3 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 25) Finished k-point 26 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 22) Finished k-point 23 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 17) Finished k-point 18 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 13) Finished k-point 14 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 34) Finished k-point 35 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 48) Finished k-point 49 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 59) Finished k-point 60 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 8) Finished k-point 9 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 39 9) Finished k-point 10 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 23) Finished k-point 24 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 24) Finished k-point 25 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 11) Finished k-point 12 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 20) Finished k-point 21 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 21) Finished k-point 22 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 28) Finished k-point 29 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 32) Finished k-point 33 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 26) Finished k-point 27 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 84) Finished k-point 85 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 15) Finished k-point 16 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 62) Finished k-point 63 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 65) Finished k-point 66 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 70) Finished k-point 71 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 6) Finished k-point 7 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 41 94) Finished k-point 95 1 with nemin= 1 nemax= 52 DM_nemin= 16 DM_nemax= 52 DM_nemaxx 39 98) Finished k-point 99 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 38 85) Finished k-point 86 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 97) Finished k-point 98 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 0) Finished k-point 1 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 89) Finished k-point 90 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 38 16) Finished k-point 17 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 39 68) Finished k-point 69 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 61) Finished k-point 62 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 10) Finished k-point 11 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 40 95) Finished k-point 96 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 37 69) Finished k-point 70 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 66) Finished k-point 67 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 71) Finished k-point 72 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 78) Finished k-point 79 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 53) Finished k-point 54 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 36 92) Finished k-point 93 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 40 3) Finished k-point 4 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 56) Finished k-point 57 1 with nemin= 1 nemax= 50 DM_nemin= 18 DM_nemax= 50 DM_nemaxx 38 60) Finished k-point 61 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 14) Finished k-point 15 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 49) Finished k-point 50 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 19) Finished k-point 20 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 18) Finished k-point 19 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 50) Finished k-point 51 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 88) Finished k-point 89 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 52) Finished k-point 53 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 44) Finished k-point 45 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 38 38) Finished k-point 39 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 12) Finished k-point 13 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 76) Finished k-point 77 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 37 55) Finished k-point 56 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 40) Finished k-point 41 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 39 64) Finished k-point 65 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 75) Finished k-point 76 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 51) Finished k-point 52 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 38 30) Finished k-point 31 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 58) Finished k-point 59 1 with nemin= 1 nemax= 52 DM_nemin= 18 DM_nemax= 52 DM_nemaxx 37 39) Finished k-point 40 1 with nemin= 1 nemax= 51 DM_nemin= 17 DM_nemax= 51 DM_nemaxx 38 1) Finished k-point 2 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 7) Finished k-point 8 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 43) Finished k-point 44 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 96) Finished k-point 97 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 42) Finished k-point 43 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 40 31) Finished k-point 32 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 73) Finished k-point 74 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 35) Finished k-point 36 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 27) Finished k-point 28 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 90) Finished k-point 91 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 87) Finished k-point 88 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 38 63) Finished k-point 64 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 40 86) Finished k-point 87 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 77) Finished k-point 78 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 37 54) Finished k-point 55 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 93) Finished k-point 94 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 91) Finished k-point 92 1 with nemin= 1 nemax= 54 DM_nemin= 16 DM_nemax= 54 DM_nemaxx 38 5) Finished k-point 6 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 37 41) Finished k-point 42 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 47) Finished k-point 48 1 with nemin= 1 nemax= 54 DM_nemin= 17 DM_nemax= 54 DM_nemaxx 39 81) Finished k-point 82 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 39 82) Finished k-point 83 1 with nemin= 1 nemax= 53 DM_nemin= 16 DM_nemax= 53 DM_nemaxx 40 57) Finished k-point 58 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 79) Finished k-point 80 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 46) Finished k-point 47 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 38 45) Finished k-point 46 1 with nemin= 1 nemax= 51 DM_nemin= 18 DM_nemax= 51 DM_nemaxx 37 80) Finished k-point 81 1 with nemin= 1 nemax= 55 DM_nemin= 16 DM_nemax= 55 DM_nemaxx 41 36) Finished k-point 37 1 with nemin= 1 nemax= 53 DM_nemin= 18 DM_nemax= 53 DM_nemaxx 38 74) Finished k-point 75 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 37 37) Finished k-point 38 1 with nemin= 1 nemax= 52 DM_nemin= 17 DM_nemax= 52 DM_nemaxx 39 83) Finished k-point 84 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 72) Finished k-point 73 1 with nemin= 1 nemax= 53 DM_nemin= 17 DM_nemax= 53 DM_nemaxx 39 Sum of eigenvalues= -369.503086086460 eV Ratio to renormalize= 0.999983006306990